Ligand: 3NG (Silmitasertib)

Total number of chains: 38
Active chains: 12
Total number of genes: 10
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 36 94.7% 9Q9DA
DFGin ABAminus 1 2.6% 6KHDC
DFGin None 1 2.6% 6KHDA

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
CAMK PIM1 PIM1_HUMAN 5O11A P11309 34 305 313.0 3NG:401 Type1 Active DFGin 6.1285 14.6109 BLAminus -127.88, 174.91 62.14, 80.5 -88.8, 17.09 290.86, 80.03 -61.06, -19.7 in-in in 8.8564 Saltbr-in 2.6066 HRD-naA -68.12, -50.16 69.42, 1.48 in-in-in SNCiii in-in ActLoopNT-in 2.8771 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.35, 8.9 APE9-dihe-na -86.78, -150.83 APE8-dihe-in -93.81, 133.37 APE8-rot-in 308.93 APE67-dihe-in -69.86, -10.11 -67.48, -44.09 APE12-dist-in 9.7422 APE11-dist-in 8.7304 APE10-dist-in 4.8611 APE9-dist-in 3.817 None SEP261 CME161,SEP261 XRAY 2.4 0.167 0.212 A 298.0 270.0 2 26 26 0 [[38, 290]] 1.0 5o11 CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC CLK1 CLK1_HUMAN 6KHDC P49759 150 479 484.0 3NG:1000 Type1 Inactive DFGin 7.0261 14.4118 ABAminus -125.6, -45.1 -89.27, 107.55 -111.64, 19.23 292.41, 98.32 -77.1, 0.74 in-in in 8.7674 Saltbr-in 2.9039 HRD-in -53.74, -54.41 89.98, -20.88 in-in-out SNCiio in-out ActLoopNT-in 2.895 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -118.02, -81.8 APE9-dihe-na -80.38, 126.35 APE8-dihe-in -130.72, 139.1 APE8-rot-out 73.02 APE67-dihe-in -49.48, -32.44 -62.98, -36.18 APE12-dist-in 13.3713 APE11-dist-in 9.0973 APE10-dist-out 11.3298 APE9-dist-out 7.8489 None None None XRAY 2.7 0.204 0.274 C 484.0 325.0 5 25 25 0 [[161, 477]] 1.0 6khd CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDB P49759 149 482 484.0 3NG:1000 Type1 Inactive DFGin 6.9078 14.0758 BLAminus -116.48, -175.0 67.35, 80.01 -102.96, 15.9 292.23, 100.48 -53.02, -40.84 in-in in 8.5827 Saltbr-in 2.6359 HRD-in -57.21, -57.72 79.07, -3.09 in-in-out SNCiio in-out ActLoopNT-in 2.9181 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_iiii APE10-dihe-na -136.88, 104.05 APE9-dihe-na 173.26, -145.7 APE8-dihe-in -145.78, 56.63 APE8-rot-in 325.36 APE67-dihe-out -165.57, -36.7 24.99, 58.5 APE12-dist-in 13.5825 APE11-dist-in 11.8902 APE10-dist-in 6.8247 APE9-dist-in 3.7474 None None None XRAY 2.7 0.204 0.274 B 484.0 332.0 2 25 25 0 [[161, 477]] 1.0 6khd CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDA P49759 149 481 484.0 3NG:1000 Type1 Inactive DFGin 6.8618 14.4848 None -115.36, -74.37 -61.99, 112.36 -110.01, 19.25 292.55, 104.1 -59.59, -27.31 in-in in 8.7531 Saltbr-in 2.4552 HRD-in -79.61, -40.92 65.39, -11.49 in-in-out SNCiio in-out ActLoopNT-in 2.9802 ActLoopCT-out nonTYR APEdihe_aannn APEdist_ioon APE10-dihe-na -162.31, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -85.78, 10.46 999.0, -15.39 APE12-dist-in 11.8684 APE11-dist-out 7.0432 APE10-dist-out 11.6347 APE9-dist-none 999.0 None None None XRAY 2.7 0.204 0.274 A 484.0 322.0 11 25 23 2 [[161, 477]] 1.0 6khd CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK2 CLK2_HUMAN 6FYLA P49760 144 483 499.0 3NG:501 Type1 Active DFGin 7.1606 14.6375 BLAminus -119.92, -175.89 60.38, 80.92 -97.43, 16.84 290.06, 87.59 -59.22, -23.17 in-in in 9.0542 Saltbr-in 2.4599 HRD-in -71.74, -50.4 78.44, -13.97 in-in-in SNCiii in-in ActLoopNT-in 2.7829 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.7, 169.22 APE9-dihe-na 74.63, 150.35 APE8-dihe-in -69.34, 134.45 APE8-rot-in 299.9 APE67-dihe-in -60.04, -23.84 -27.22, -60.14 APE12-dist-in 13.3763 APE11-dist-in 11.8847 APE10-dist-in 7.4666 APE9-dist-in 2.9296 None None None XRAY 1.95 0.19 0.213 A 363.0 340.0 0 25 25 0 [[163, 479]] 1.0 6fyl CMGC_CLK2_HUMAN CMGC 1.7e-92 315.7 1.0 301.0 301.0 326 327 328 330 332 193 208 212 287 289 288 290.0 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK2 CLK2_HUMAN 6KHEA P49760 144 485 499.0 3NG:1000 Type1 Inactive DFGin 7.0549 14.8367 BLAminus -131.68, -176.57 65.16, 73.84 -91.75, 19.3 289.49, 98.72 -67.18, -14.55 in-in in 9.1864 Saltbr-in 2.6098 HRD-out -72.06, 107.81 -82.72, -0.44 in-in-in SNCiii in-in ActLoopNT-in 3.1139 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.6, 166.16 APE9-dihe-na 72.38, -179.55 APE8-dihe-in -103.99, 128.19 APE8-rot-in 299.55 APE67-dihe-in -66.25, -31.78 -33.5, -45.82 APE12-dist-in 13.3233 APE11-dist-in 11.9764 APE10-dist-in 7.4837 APE9-dist-in 3.3178 None None None XRAY 2.8 0.203 0.261 A 499.0 342.0 0 25 25 0 [[163, 479]] 1.0 6khe CMGC_CLK2_HUMAN CMGC 4.9e-92 314.7 1.0 301.0 301.0 326 327 328 330 332 193 208 212 287 289 288 290.0 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK3 CLK3_HUMAN 6FYPA P49761 135 482 490.0 3NG:501 Type1 Active DFGin 7.3707 14.5167 BLAminus -116.73, 177.74 60.44, 79.82 -96.62, 15.47 286.13, 83.84 -75.93, 15.05 in-in in 8.9303 Saltbr-in 2.5033 HRD-in -67.5, -54.16 75.08, -16.75 in-in-in SNCiii in-in ActLoopNT-in 2.6859 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.43, 170.83 APE9-dihe-na 76.46, 148.77 APE8-dihe-in -66.24, 143.06 APE8-rot-in 302.49 APE67-dihe-in -49.68, -26.63 -51.83, -51.01 APE12-dist-in 13.9696 APE11-dist-in 12.0237 APE10-dist-in 7.4359 APE9-dist-in 3.0371 None None None XRAY 2.29 0.23 0.267 A 360.0 348.0 2 25 25 0 [[156, 472]] 1.0 6fyp CMGC_CLK3_HUMAN CMGC 1.2e-90 309.6 1.0 301.0 301.0 319 320 321 323 325 186 201 205 280 282 281 283.0 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK3 CLK3_HUMAN 6KHFA P49761 142 481 490.0 3NG:1000 Type1 Inactive DFGin 7.15 14.2189 BLAminus -127.11, -179.47 56.9, 68.81 -87.1, 27.16 289.67, 76.33 -67.97, -3.15 in-in in 8.8452 Saltbr-in 2.7248 HRD-out -71.79, 130.53 -107.28, 17.73 in-in-out SNCiio in-out ActLoopNT-in 2.8565 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -140.37, -24.13 APE9-dihe-na -98.19, 177.1 APE8-dihe-in -67.74, 125.23 APE8-rot-in 310.54 APE67-dihe-in -68.95, -22.53 -32.12, -48.44 APE12-dist-out 14.3079 APE11-dist-in 12.3827 APE10-dist-out 8.0904 APE9-dist-in 3.6412 None None None XRAY 2.598 0.229 0.284 A 490.0 327.0 15 25 25 0 [[156, 472]] 1.0 6khf CMGC_CLK3_HUMAN CMGC 3.4e-90 308.4 1.0 301.0 301.0 319 320 321 323 325 186 201 205 280 282 281 283.0 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK4 CLK4_HUMAN 6FYVA Q9HAZ1 148 479 481.0 3NG:60501 Type1 Active DFGin 7.194 14.3116 BLAminus -120.78, 176.99 65.84, 75.81 -95.62, 15.62 293.79, 91.03 -57.52, -19.12 in-in in 8.7694 Saltbr-in 2.7842 HRD-in -64.07, -51.05 77.92, -13.36 in-in-in SNCiii in-in ActLoopNT-in 2.8295 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.05, 170.31 APE9-dihe-na 72.69, 148.35 APE8-dihe-in -68.0, 139.98 APE8-rot-in 290.09 APE67-dihe-in -63.52, -22.37 -39.86, -52.09 APE12-dist-in 13.2233 APE11-dist-in 11.4076 APE10-dist-in 7.3586 APE9-dist-in 3.0267 None None None XRAY 2.46 0.204 0.223 A 337.0 329.0 3 25 25 0 [[159, 475]] 1.0 6fyv CMGC_CLK4_HUMAN CMGC 8.9e-93 316.7 1.0 301.0 301.0 322 323 324 326 328 189 204 208 283 285 284 286.0 359 347 342 341 340 339 338 337 336 240 Dual specificity protein kinase CLK4
CMGC CSNK2A1 CSK21_HUMAN 9HYHA P68400 2 333 391.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4771 16.3937 BLAminus -121.68, -179.33 58.66, 73.4 -93.07, 20.44 296.95, 80.12 -72.1, -13.43 in-in in 9.5519 Saltbr-in 2.7053 HRD-in -71.8, -47.17 67.87, 7.84 in-in-out SNCiio in-out ActLoopNT-in 2.9381 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.17, 164.17 APE9-dihe-na 70.19, 157.91 APE8-dihe-in -73.34, 145.8 APE8-rot-out 156.95 APE67-dihe-in -65.82, -17.6 -47.03, -48.02 APE12-dist-in 12.6264 APE11-dist-in 10.464 APE10-dist-in 6.1328 APE9-dist-in 3.3684 None None None XRAY 1.96 0.201 0.241 A 355.0 332.0 0 27 27 0 [[39, 324]] 1.0 9hyh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAA P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.3748 16.2064 BLAminus -109.97, -178.65 53.41, 79.28 -94.14, 17.71 296.64, 82.05 -65.34, -22.88 in-in in 9.1355 Saltbr-in 2.6297 HRD-in -74.72, -46.8 68.49, 9.84 in-in-out SNCiio in-out ActLoopNT-in 2.9034 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.38, 173.93 APE9-dihe-na 62.93, -179.6 APE8-dihe-in -105.16, 145.11 APE8-rot-out 135.96 APE67-dihe-in -65.3, -19.19 -33.68, -57.22 APE12-dist-in 12.574 APE11-dist-in 10.3926 APE10-dist-in 6.0706 APE9-dist-in 3.0941 None None None XRAY 2.71 0.189 0.218 A 333.0 331.0 0 27 27 0 [[39, 324]] 1.0 3nga CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAB P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.3901 16.3368 BLAminus -109.78, -178.98 53.4, 79.2 -94.06, 17.66 296.54, 82.9 -66.35, -22.63 in-in in 9.2121 Saltbr-in 2.6288 HRD-in -75.46, -46.47 68.49, 7.96 in-in-out SNCiio in-out ActLoopNT-in 2.8902 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -124.41, 174.85 APE9-dihe-na 62.34, 178.86 APE8-dihe-in -102.65, 148.1 APE8-rot-out 136.21 APE67-dihe-in -68.17, -20.17 -36.37, -54.19 APE12-dist-in 12.6285 APE11-dist-in 10.5384 APE10-dist-in 6.1084 APE9-dist-in 3.1327 None None None XRAY 2.71 0.189 0.218 B 333.0 331.0 0 27 27 0 [[39, 324]] 1.0 3nga CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3PE1A P68400 3 329 391.0 3NG:338 Type1 Inactive DFGin 7.4402 16.2895 BLAminus -112.48, -179.47 50.32, 77.23 -88.93, 20.86 296.76, 81.48 -67.84, -19.52 in-in in 9.2026 Saltbr-in 2.7169 HRD-in -76.91, -49.2 72.12, 6.33 in-in-out SNCiio in-out ActLoopNT-in 2.9042 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.3, 170.98 APE9-dihe-na 65.07, 159.47 APE8-dihe-in -81.62, 147.33 APE8-rot-out 162.29 APE67-dihe-in -67.89, -13.96 -40.02, -55.24 APE12-dist-in 12.7238 APE11-dist-in 10.3591 APE10-dist-in 6.1574 APE9-dist-in 3.2344 None None None XRAY 1.6 0.162 0.203 A 337.0 327.0 0 27 27 0 [[39, 324]] 1.0 3pe1 CMGC_CSNK2A1_HUMAN CMGC 1.4e-69 240.6 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HYHB P68400 2 332 391.0 3NG:401,SY4:402 Type1,Allosteric Inactive DFGin 7.4554 16.6858 BLAminus -121.17, -179.71 60.15, 74.28 -94.36, 20.01 295.53, 80.91 -72.98, -14.61 in-in in 9.7479 Saltbr-in 2.8021 HRD-in -73.27, -48.07 68.78, 4.9 in-in-out SNCiio in-out ActLoopNT-in 2.8873 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.73, 163.63 APE9-dihe-na 71.35, 156.53 APE8-dihe-in -76.0, 150.02 APE8-rot-out 60.35 APE67-dihe-in -68.11, -15.2 -46.02, -50.6 APE12-dist-in 12.7487 APE11-dist-in 10.8432 APE10-dist-in 6.3197 APE9-dist-in 3.734 None None None XRAY 1.96 0.201 0.241 B 355.0 331.0 0 27 27 0 [[39, 324]] 1.0 9hyh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHA P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.3832 16.5654 BLAminus -118.8, -178.34 55.59, 76.92 -97.73, 18.91 299.34, 78.81 -65.83, -13.05 in-in in 9.8266 Saltbr-in 2.8728 HRD-in -78.42, -45.3 64.02, 17.48 in-in-out SNCiio in-out ActLoopNT-in 2.8723 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.04, 164.88 APE9-dihe-na 65.11, 156.36 APE8-dihe-in -63.07, 152.22 APE8-rot-out 172.82 APE67-dihe-in -64.56, -17.94 -58.04, -42.17 APE12-dist-in 12.6984 APE11-dist-in 10.4207 APE10-dist-in 6.1804 APE9-dist-in 3.3639 None None None XRAY 2.07 0.216 0.256 A 355.0 331.0 0 27 27 0 [[39, 324]] 1.0 9hzh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHB P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.3676 16.5525 BLAminus -119.62, -176.75 54.5, 77.97 -98.25, 23.82 298.23, 80.81 -69.92, -15.41 in-in in 9.7786 Saltbr-in 2.8102 HRD-in -71.72, -44.22 63.92, 15.43 in-in-out SNCiio in-out ActLoopNT-in 2.9793 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.6, 164.83 APE9-dihe-na 66.55, 154.43 APE8-dihe-in -63.65, 152.11 APE8-rot-out 176.37 APE67-dihe-in -67.11, -13.32 -56.47, -43.99 APE12-dist-in 12.7893 APE11-dist-in 10.7744 APE10-dist-in 6.3191 APE9-dist-in 3.4846 None None None XRAY 2.07 0.216 0.256 B 355.0 331.0 0 27 27 0 [[39, 324]] 1.0 9hzh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A2 CSK22_HUMAN 8QBUA P19784 6 333 350.0 42J:404,3NG:405 Allosteric,Type1 Inactive DFGin 7.4806 16.1168 BLAminus -115.34, 177.54 56.37, 76.99 -87.29, 16.84 296.65, 81.34 -70.83, -16.25 in-in in 9.2428 Saltbr-in 2.7671 HRD-in -74.29, -50.68 73.5, 10.15 in-in-out SNCiio in-out ActLoopNT-in 2.8389 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.98, 166.78 APE9-dihe-na 65.99, 156.92 APE8-dihe-in -70.01, 146.12 APE8-rot-out 159.04 APE67-dihe-in -73.31, -10.45 -44.42, -45.9 APE12-dist-in 12.4618 APE11-dist-in 10.0092 APE10-dist-in 6.1073 APE9-dist-in 3.2413 C336S None None XRAY 1.09 0.16 0.179 A 364.0 328.0 0 27 27 0 [[40, 325]] 1.0 8qbu CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9IHIA P19784 7 333 350.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4146 16.0263 BLAminus -114.42, 178.99 58.97, 77.48 -92.68, 17.89 295.72, 83.62 -70.78, -17.6 in-in in 9.1661 Saltbr-in 2.8146 HRD-in -75.11, -48.36 72.21, 10.05 in-in-out SNCiio in-out ActLoopNT-in 2.8415 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.76, 169.32 APE9-dihe-na 65.88, 158.62 APE8-dihe-in -76.33, 145.23 APE8-rot-out 154.92 APE67-dihe-in -68.36, -16.5 -40.48, -52.03 APE12-dist-in 12.7831 APE11-dist-in 10.5056 APE10-dist-in 6.283 APE9-dist-in 3.2357 C336S None None XRAY 1.23 0.136 0.166 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9ihi CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9BA P19784 7 333 350.0 VN9:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4696 16.135 BLAminus -114.78, -178.63 52.36, 80.6 -90.66, 23.03 297.12, 80.84 -72.97, -19.45 in-in in 9.1641 Saltbr-in 2.8513 HRD-in -75.12, -49.8 73.87, 8.89 in-in-out SNCiio in-out ActLoopNT-in 2.8991 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.85, 168.61 APE9-dihe-na 65.18, 157.14 APE8-dihe-in -73.48, 146.48 APE8-rot-out 146.34 APE67-dihe-in -70.57, -17.74 -39.27, -49.01 APE12-dist-in 12.665 APE11-dist-in 10.4239 APE10-dist-in 6.2264 APE9-dist-in 3.23 C336S None None XRAY 1.84 0.168 0.206 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9q9b CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QB6A P19784 7 333 350.0 RDV:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.3997 16.0151 BLAminus -116.09, 178.07 58.12, 76.49 -88.07, 15.69 297.72, 81.25 -71.25, -16.82 in-in in 9.094 Saltbr-in 2.784 HRD-in -72.64, -51.36 73.74, 9.54 in-in-out SNCiio in-out ActLoopNT-in 2.8621 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -133.78, 169.18 APE9-dihe-na 62.18, 162.55 APE8-dihe-in -82.53, 146.39 APE8-rot-out 147.47 APE67-dihe-in -70.59, -14.66 -39.2, -52.96 APE12-dist-in 12.7016 APE11-dist-in 10.3731 APE10-dist-in 6.2257 APE9-dist-in 3.2118 C336S None None XRAY 1.05 0.127 0.144 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9qb6 CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QABA P19784 7 333 350.0 RA7:401,3NG:402,RA7:403 Allosteric,Type1,Allosteric Inactive DFGin 7.3763 16.117 BLAminus -113.6, 178.31 57.83, 77.52 -90.77, 14.85 296.13, 81.67 -69.28, -17.99 in-in in 9.1753 Saltbr-in 2.7602 HRD-in -72.54, -50.49 72.75, 9.89 in-in-out SNCiio in-out ActLoopNT-in 2.9018 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.24, 170.06 APE9-dihe-na 64.96, 162.68 APE8-dihe-in -81.37, 147.07 APE8-rot-out 150.87 APE67-dihe-in -69.81, -15.24 -39.22, -53.5 APE12-dist-in 12.7156 APE11-dist-in 10.3505 APE10-dist-in 6.2267 APE9-dist-in 3.1879 C336S None None XRAY 0.95 0.131 0.141 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9qab CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 6HMBA P19784 7 334 350.0 3NG:413 Type1 Inactive DFGin 7.5263 16.1346 BLAminus -111.55, 174.56 58.24, 78.46 -87.65, 16.17 297.85, 81.04 -69.02, -17.39 in-in in 9.1841 Saltbr-in 2.7709 HRD-in -73.83, -48.37 71.6, 10.44 in-in-out SNCiio in-out ActLoopNT-in 2.8719 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -135.43, 166.43 APE9-dihe-na 65.52, 156.91 APE8-dihe-in -69.62, 146.48 APE8-rot-out 153.38 APE67-dihe-in -70.99, -14.32 -39.92, -51.06 APE12-dist-in 12.5715 APE11-dist-in 10.1401 APE10-dist-in 6.1254 APE9-dist-in 3.2691 C336S None None XRAY 1.04 0.135 0.146 A 364.0 328.0 0 27 27 0 [[40, 325]] 1.0 6hmb CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9HK5A P19784 7 334 350.0 3NG:402 Type1 Inactive DFGin 7.5417 16.2081 BLAminus -114.65, -179.29 53.64, 80.01 -92.35, 20.62 296.39, 82.42 -74.28, -17.08 in-in in 9.2712 Saltbr-in 2.8256 HRD-in -73.22, -49.09 72.9, 4.28 in-in-out SNCiio in-out ActLoopNT-in 2.8993 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.78, 167.23 APE9-dihe-na 62.78, 157.39 APE8-dihe-in -75.16, 149.06 APE8-rot-out 147.29 APE67-dihe-in -68.84, -16.32 -43.13, -50.25 APE12-dist-in 12.6936 APE11-dist-in 10.3583 APE10-dist-in 6.3151 APE9-dist-in 3.2885 P32V,V83I,T101I,C336S None None XRAY 1.491 0.175 0.204 A 364.0 328.0 0 27 27 0 [[40, 325]] 1.0 9hk5 CMGC_CSNK2A2_HUMAN CMGC 3.1e-70 242.7 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9AA P19784 7 333 350.0 3NG:401,A1I4V:402 Type1,Allosteric Inactive DFGin 7.3968 16.1705 BLAminus -114.27, 179.87 56.61, 76.76 -86.69, 17.58 298.08, 81.74 -71.41, -19.01 in-in in 9.2472 Saltbr-in 2.7755 HRD-in -75.92, -48.72 71.51, 10.14 in-in-out SNCiio in-out ActLoopNT-in 2.9018 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.5, 165.78 APE9-dihe-na 68.3, 154.64 APE8-dihe-in -67.27, 146.08 APE8-rot-out 156.93 APE67-dihe-in -69.44, -15.07 -43.26, -49.96 APE12-dist-in 12.7244 APE11-dist-in 10.3892 APE10-dist-in 6.2342 APE9-dist-in 3.275 C336S None None XRAY 1.03 0.147 0.156 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9q9a CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9DA P19784 7 332 350.0 3NG:401,R9G:402 Type1,Allosteric Inactive DFGin 7.4132 16.1135 BLAminus -111.11, 176.5 58.97, 76.86 -90.38, 17.87 296.15, 81.91 -69.6, -18.64 in-in in 9.2147 Saltbr-in 2.7898 HRD-in -72.74, -49.53 71.25, 10.86 in-in-out SNCiio in-out ActLoopNT-in 2.8997 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.74, 169.32 APE9-dihe-na 66.15, 161.19 APE8-dihe-in -81.94, 147.26 APE8-rot-out 152.61 APE67-dihe-in -69.62, -15.68 -40.15, -53.5 APE12-dist-in 12.7352 APE11-dist-in 10.3788 APE10-dist-in 6.2205 APE9-dist-in 3.1832 C336S None None XRAY 0.89 0.148 0.159 A 370.0 326.0 0 27 27 0 [[40, 325]] 1.0 9q9d CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QAGA P19784 7 333 350.0 3NG:401,RBJ:402 Type1,Allosteric Inactive DFGin 7.4021 16.1463 BLAminus -113.78, 178.8 55.06, 77.97 -89.73, 16.81 296.32, 81.5 -70.74, -16.11 in-in in 9.2395 Saltbr-in 2.7651 HRD-in -72.83, -48.69 70.11, 10.59 in-in-out SNCiio in-out ActLoopNT-in 2.868 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.87, 167.19 APE9-dihe-na 64.82, 157.5 APE8-dihe-in -76.42, 146.88 APE8-rot-out 148.1 APE67-dihe-in -71.68, -14.1 -39.59, -52.28 APE12-dist-in 12.6802 APE11-dist-in 10.313 APE10-dist-in 6.2489 APE9-dist-in 3.2638 C336S None None XRAY 1.01 0.136 0.162 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9qag CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC DYRK1A DYR1A_HUMAN 7Z5NA Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.3321 14.774 BLAminus -125.89, 175.46 60.34, 76.96 -90.72, 25.89 277.64, 75.8 -70.85, -23.55 in-in in 8.8674 Saltbr-in 2.6269 HRD-in -70.94, -45.64 77.0, -3.79 in-in-in SNCiii in-in ActLoopNT-in 2.8285 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.65, -35.2 APE9-dihe-na -94.12, 169.14 APE8-dihe-in -81.45, 135.48 APE8-rot-in 271.72 APE67-dihe-in -57.78, -21.85 -42.59, -54.66 APE12-dist-in 12.6821 APE11-dist-in 11.0876 APE10-dist-in 6.8083 APE9-dist-in 3.3732 None PTR321 PTR321 XRAY 2.77 0.207 0.252 A 370.0 346.0 0 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NB Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 6.9649 15.0305 BLAminus -121.53, 177.86 59.36, 74.88 -91.0, 24.04 284.65, 79.36 -69.42, -6.51 in-in in 9.0717 Saltbr-in 2.9555 HRD-in -65.31, -40.72 67.91, 3.75 in-in-in SNCiii in-in ActLoopNT-in 2.837 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.86, 165.14 APE9-dihe-na 70.53, 140.66 APE8-dihe-in -62.36, 145.8 APE8-rot-in 271.48 APE67-dihe-in -55.51, -24.3 -55.08, -48.98 APE12-dist-in 12.6516 APE11-dist-in 11.2403 APE10-dist-in 7.3918 APE9-dist-in 3.1929 None PTR321 PTR321 XRAY 2.77 0.207 0.252 B 370.0 343.0 3 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NC Q13627 134 480 763.0 3NG:501 Type1 Active DFGin 7.1253 14.8454 BLAminus -127.45, -179.8 54.81, 79.63 -96.7, 25.59 287.09, 79.21 -71.97, -4.29 in-in in 9.2181 Saltbr-in 2.9307 HRD-in -65.84, -47.16 77.48, 0.17 in-in-in SNCiii in-in ActLoopNT-in 2.9412 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.48, 175.3 APE9-dihe-na 70.69, 141.68 APE8-dihe-in -71.86, 144.08 APE8-rot-in 308.65 APE67-dihe-in -60.2, -32.88 -49.5, -49.8 APE12-dist-in 13.0342 APE11-dist-in 11.5337 APE10-dist-in 7.1481 APE9-dist-in 3.1712 None PTR321 PTR321 XRAY 2.77 0.207 0.252 C 370.0 344.0 3 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5ND Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.1302 14.8905 BLAminus -128.02, 175.09 60.57, 71.33 -86.84, 26.43 281.73, 81.64 -75.1, -14.91 in-in in 9.0813 Saltbr-in 2.6725 HRD-in -60.22, -35.39 67.3, 3.71 in-in-in SNCiii in-in ActLoopNT-in 2.8212 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.57, 171.93 APE9-dihe-na 66.97, 156.51 APE8-dihe-in -85.5, 144.03 APE8-rot-in 283.59 APE67-dihe-in -57.76, -18.64 -49.19, -52.69 APE12-dist-in 12.3898 APE11-dist-in 10.7324 APE10-dist-in 7.1105 APE9-dist-in 3.0418 None PTR321 PTR321 XRAY 2.77 0.207 0.252 D 370.0 338.0 8 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NE Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.1875 14.8412 BLAminus -123.41, -179.95 58.6, 74.9 -91.66, 28.87 284.52, 74.3 -74.18, -15.86 in-in in 8.9317 Saltbr-in 2.5987 HRD-in -66.53, -45.73 70.01, 6.86 in-in-in SNCiii in-in ActLoopNT-in 2.7293 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -118.5, 169.99 APE9-dihe-na 69.78, 136.41 APE8-dihe-in -57.94, 135.93 APE8-rot-in 298.8 APE67-dihe-in -52.87, -33.29 -49.91, -51.82 APE12-dist-in 12.549 APE11-dist-in 11.3781 APE10-dist-in 7.3247 APE9-dist-in 3.1848 None PTR321 PTR321 XRAY 2.77 0.207 0.252 E 370.0 340.0 6 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NF Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.2676 14.4998 BLAminus -134.01, 179.07 56.51, 71.89 -90.03, 23.99 289.58, 70.49 -65.64, -23.07 in-in in 9.2238 Saltbr-in 2.8672 HRD-in -69.65, -42.1 76.58, -5.06 in-in-in SNCiii in-in ActLoopNT-in 2.9434 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.88, -177.32 APE9-dihe-na 69.42, 90.94 APE8-dihe-in -27.36, 123.58 APE8-rot-in 265.98 APE67-dihe-in -50.43, -31.45 -50.21, -44.01 APE12-dist-in 13.0645 APE11-dist-in 11.2524 APE10-dist-in 6.8459 APE9-dist-in 3.1713 None PTR321 PTR321 XRAY 2.77 0.207 0.252 F 370.0 346.0 0 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NG Q13627 137 480 763.0 3NG:501 Type1 Active DFGin 7.3439 14.7808 BLAminus -131.27, 177.34 58.91, 64.55 -81.55, 37.12 289.02, 78.81 -81.79, -16.85 in-in in 8.9786 Saltbr-in 2.6293 HRD-in -65.23, -49.26 77.2, 4.64 in-in-in SNCiii in-in ActLoopNT-in 2.7185 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.89, 64.11 APE9-dihe-na -161.3, 162.4 APE8-dihe-in -70.8, 130.74 APE8-rot-in 279.54 APE67-dihe-in -57.11, -25.99 -52.9, -46.96 APE12-dist-in 12.7122 APE11-dist-in 11.5438 APE10-dist-in 6.7588 APE9-dist-in 3.4177 None PTR321 PTR321 XRAY 2.77 0.207 0.252 G 370.0 333.0 11 25 25 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NH Q13627 135 480 763.0 3NG:501 Type1 None DFGin 6.6792 14.8469 BLAminus -128.66, -179.58 53.82, 77.25 -93.05, 20.83 280.85, 75.88 -63.97, -13.6 in-in in 9.0745 Saltbr-in 3.0013 HRD-in -63.15, -47.83 74.92, 6.9 in-in-none SNCiin in-none ActLoopNT-in 2.7985 ActLoopCT-none nonTYR APEdihe_aaini APEdist_niii APE10-dihe-na -156.21, 166.85 APE9-dihe-na 64.29, 161.67 APE8-dihe-in -89.72, 140.84 APE8-rot-none 999.0 APE67-dihe-in -54.39, -32.97 -48.02, -56.25 APE12-dist-none 999.0 APE11-dist-in 10.614 APE10-dist-in 7.7666 APE9-dist-in 3.2077 None PTR321 PTR321 XRAY 2.77 0.207 0.252 H 370.0 307.0 39 25 21 4 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 7Z1FA P49841 28 383 420.0 3NG:60401 Type1 Inactive DFGin 7.1722 14.3874 BLAminus -140.61, -172.17 56.83, 67.31 -90.44, 24.59 283.96, 78.9 -70.58, -34.2 in-in in 8.5891 Saltbr-in 2.7064 HRD-in -70.71, -48.08 68.23, 20.67 in-in-out SNCiio in-out ActLoopNT-in 2.8765 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -121.77, -56.1 APE9-dihe-na -73.95, 173.6 APE8-dihe-in -71.54, 133.95 APE8-rot-out 205.24 APE67-dihe-in -54.78, -22.55 -52.86, -47.6 APE12-dist-in 13.7113 APE11-dist-in 11.9213 APE10-dist-in 7.2574 APE9-dist-in 3.4781 None PTR216 PTR216 XRAY 3.0 0.224 0.249 A 364.0 354.0 2 27 27 0 [[56, 340]] 1.0 7z1f CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1FB P49841 38 382 420.0 3NG:60401 Type1 Inactive DFGin 6.8696 14.4685 BLAminus -141.12, -171.82 52.8, 73.11 -90.49, 20.89 285.47, 81.84 -62.59, -35.1 in-in in 9.0255 Saltbr-in 2.7633 HRD-in -68.41, -52.97 70.54, 14.05 in-in-out SNCiio in-out ActLoopNT-in 3.0394 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -122.34, -53.99 APE9-dihe-na -75.88, 165.71 APE8-dihe-in -64.92, 136.76 APE8-rot-out 179.7 APE67-dihe-in -58.44, -19.64 -54.95, -47.33 APE12-dist-in 13.527 APE11-dist-in 11.8588 APE10-dist-in 7.1538 APE9-dist-in 3.5583 None PTR216 PTR216 XRAY 3.0 0.224 0.249 B 364.0 321.0 24 27 27 0 [[56, 340]] 1.0 7z1f CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1GA P49841 27 383 420.0 3NG:60401 Type1 Active DFGin 7.2716 14.699 BLAminus -137.45, -179.93 52.32, 81.51 -93.1, 20.22 282.75, 78.65 -65.74, -16.48 in-in in 8.9685 Saltbr-in 2.7705 HRD-in -67.62, -47.44 74.98, 2.45 in-in-in SNCiii in-in ActLoopNT-in 2.9264 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -86.67, 177.94 APE9-dihe-na 70.81, 142.84 APE8-dihe-in -95.23, 170.55 APE8-rot-in 305.08 APE67-dihe-inflip 72.5, -37.64 -53.01, 158.1 APE12-dist-in 12.7846 APE11-dist-in 10.8474 APE10-dist-in 5.858 APE9-dist-in 2.9838 None None None XRAY 2.85 0.204 0.228 A 364.0 355.0 2 27 27 0 [[56, 340]] 1.0 7z1g CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC HIPK2 HIPK2_HUMAN 6P5SA Q9H2X6 185 535 1198.0 3NG:601 Type1 Inactive DFGin 7.2975 14.2301 BLAminus -121.5, -179.79 64.91, 82.62 -96.84, 22.58 294.47, 82.62 -64.48, -30.53 in-in in 8.9707 Saltbr-in 2.7611 HRD-in -77.76, -49.7 67.78, 8.12 in-in-out SNCiio in-out ActLoopNT-in 2.6387 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.93, 168.02 APE9-dihe-na 68.38, 155.05 APE8-dihe-in -77.17, 138.14 APE8-rot-out 185.94 APE67-dihe-in -61.16, -24.2 -57.86, -43.21 APE12-dist-in 10.5837 APE11-dist-in 11.1051 APE10-dist-in 7.4946 APE9-dist-in 3.2425 None PTR361,SEP441 PTR361,SEP441 XRAY 2.194 0.2 0.238 A 390.0 333.0 18 26 20 6 [[199, 527]] 1.0 6p5s CMGC_HIPK2_HUMAN CMGC 2.6e-92 315.4 1.0 301.0 301.0 345 346 347 349 351 228 243 247 321 323 322 324.0 383 371 366 365 364 363 362 361 360 278 Homeodomain-interacting protein kinase 2

Ligand: 3NG (Silmitasertib)

Total number of chains: 39
Active chains: 12
Total number of genes: 11
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 37 94.9% 9Q9DA
DFGin ABAminus 1 2.6% 6KHDC
DFGin None 1 2.6% 6KHDA

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
CMGC CKA1 J9VNH4_CRYN9 6K3LB J9VNH4 5 333 338.0 3NG:401 Type1 Inactive DFGin 7.6605 16.1522 BLAminus -114.35, -178.61 52.93, 78.12 -89.9, 16.79 294.15, 81.47 -67.97, -25.55 in-in in 9.0754 Saltbr-in 2.706 HRD-in -76.39, -51.63 76.4, 5.85 in-in-out SNCiio in-out ActLoopNT-in 2.8224 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.48, 161.19 APE9-dihe-na 73.24, 164.99 APE8-dihe-in -76.46, 151.58 APE8-rot-out 148.39 APE67-dihe-in -65.37, -22.86 -51.07, -48.56 APE12-dist-in 12.8216 APE11-dist-in 10.5113 APE10-dist-in 6.3026 APE9-dist-in 3.4029 None None None XRAY 2.09 0.189 0.219 B 338.0 329.0 0 27 27 0 [[38, 323]] 1.0 6k3l Cryptococcus neoformans CMGC_CKA1_CRYN9 CMGC 6e-64 222.0 1.0 301.0 301.0 173 174 175 177 179 67 80 84 152 154 153 155.0 213 200 195 194 193 192 191 190 189 113 Casein kinase II subunit alpha
CAMK PIM1 PIM1_HUMAN 5O11A P11309 34 305 313.0 3NG:401 Type1 Active DFGin 6.1285 14.6109 BLAminus -127.88, 174.91 62.14, 80.5 -88.8, 17.09 290.86, 80.03 -61.06, -19.7 in-in in 8.8564 Saltbr-in 2.6066 HRD-naA -68.12, -50.16 69.42, 1.48 in-in-in SNCiii in-in ActLoopNT-in 2.8771 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.35, 8.9 APE9-dihe-na -86.78, -150.83 APE8-dihe-in -93.81, 133.37 APE8-rot-in 308.93 APE67-dihe-in -69.86, -10.11 -67.48, -44.09 APE12-dist-in 9.7422 APE11-dist-in 8.7304 APE10-dist-in 4.8611 APE9-dist-in 3.817 None SEP261 CME161,SEP261 XRAY 2.4 0.167 0.212 A 298.0 270.0 2 26 26 0 [[38, 290]] 1.0 5o11 Homo sapiens CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1.0 256.0 256.0 185 186 187 189 191 67 89 93 164 166 165 167.0 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC CLK1 CLK1_HUMAN 6KHDC P49759 150 479 484.0 3NG:1000 Type1 Inactive DFGin 7.0261 14.4118 ABAminus -125.6, -45.1 -89.27, 107.55 -111.64, 19.23 292.41, 98.32 -77.1, 0.74 in-in in 8.7674 Saltbr-in 2.9039 HRD-in -53.74, -54.41 89.98, -20.88 in-in-out SNCiio in-out ActLoopNT-in 2.895 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -118.02, -81.8 APE9-dihe-na -80.38, 126.35 APE8-dihe-in -130.72, 139.1 APE8-rot-out 73.02 APE67-dihe-in -49.48, -32.44 -62.98, -36.18 APE12-dist-in 13.3713 APE11-dist-in 9.0973 APE10-dist-out 11.3298 APE9-dist-out 7.8489 None None None XRAY 2.7 0.204 0.274 C 484.0 325.0 5 25 25 0 [[161, 477]] 1.0 6khd Homo sapiens CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDB P49759 149 482 484.0 3NG:1000 Type1 Inactive DFGin 6.9078 14.0758 BLAminus -116.48, -175.0 67.35, 80.01 -102.96, 15.9 292.23, 100.48 -53.02, -40.84 in-in in 8.5827 Saltbr-in 2.6359 HRD-in -57.21, -57.72 79.07, -3.09 in-in-out SNCiio in-out ActLoopNT-in 2.9181 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_iiii APE10-dihe-na -136.88, 104.05 APE9-dihe-na 173.26, -145.7 APE8-dihe-in -145.78, 56.63 APE8-rot-in 325.36 APE67-dihe-out -165.57, -36.7 24.99, 58.5 APE12-dist-in 13.5825 APE11-dist-in 11.8902 APE10-dist-in 6.8247 APE9-dist-in 3.7474 None None None XRAY 2.7 0.204 0.274 B 484.0 332.0 2 25 25 0 [[161, 477]] 1.0 6khd Homo sapiens CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDA P49759 149 481 484.0 3NG:1000 Type1 Inactive DFGin 6.8618 14.4848 None -115.36, -74.37 -61.99, 112.36 -110.01, 19.25 292.55, 104.1 -59.59, -27.31 in-in in 8.7531 Saltbr-in 2.4552 HRD-in -79.61, -40.92 65.39, -11.49 in-in-out SNCiio in-out ActLoopNT-in 2.9802 ActLoopCT-out nonTYR APEdihe_aannn APEdist_ioon APE10-dihe-na -162.31, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -85.78, 10.46 999.0, -15.39 APE12-dist-in 11.8684 APE11-dist-out 7.0432 APE10-dist-out 11.6347 APE9-dist-none 999.0 None None None XRAY 2.7 0.204 0.274 A 484.0 322.0 11 25 23 2 [[161, 477]] 1.0 6khd Homo sapiens CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1.0 301.0 301.0 324 325 326 328 330 191 206 210 285 287 286 288.0 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK2 CLK2_HUMAN 6FYLA P49760 144 483 499.0 3NG:501 Type1 Active DFGin 7.1606 14.6375 BLAminus -119.92, -175.89 60.38, 80.92 -97.43, 16.84 290.06, 87.59 -59.22, -23.17 in-in in 9.0542 Saltbr-in 2.4599 HRD-in -71.74, -50.4 78.44, -13.97 in-in-in SNCiii in-in ActLoopNT-in 2.7829 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.7, 169.22 APE9-dihe-na 74.63, 150.35 APE8-dihe-in -69.34, 134.45 APE8-rot-in 299.9 APE67-dihe-in -60.04, -23.84 -27.22, -60.14 APE12-dist-in 13.3763 APE11-dist-in 11.8847 APE10-dist-in 7.4666 APE9-dist-in 2.9296 None None None XRAY 1.95 0.19 0.213 A 363.0 340.0 0 25 25 0 [[163, 479]] 1.0 6fyl Homo sapiens CMGC_CLK2_HUMAN CMGC 1.7e-92 315.7 1.0 301.0 301.0 326 327 328 330 332 193 208 212 287 289 288 290.0 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK2 CLK2_HUMAN 6KHEA P49760 144 485 499.0 3NG:1000 Type1 Inactive DFGin 7.0549 14.8367 BLAminus -131.68, -176.57 65.16, 73.84 -91.75, 19.3 289.49, 98.72 -67.18, -14.55 in-in in 9.1864 Saltbr-in 2.6098 HRD-out -72.06, 107.81 -82.72, -0.44 in-in-in SNCiii in-in ActLoopNT-in 3.1139 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -132.6, 166.16 APE9-dihe-na 72.38, -179.55 APE8-dihe-in -103.99, 128.19 APE8-rot-in 299.55 APE67-dihe-in -66.25, -31.78 -33.5, -45.82 APE12-dist-in 13.3233 APE11-dist-in 11.9764 APE10-dist-in 7.4837 APE9-dist-in 3.3178 None None None XRAY 2.8 0.203 0.261 A 499.0 342.0 0 25 25 0 [[163, 479]] 1.0 6khe Homo sapiens CMGC_CLK2_HUMAN CMGC 4.9e-92 314.7 1.0 301.0 301.0 326 327 328 330 332 193 208 212 287 289 288 290.0 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK3 CLK3_HUMAN 6FYPA P49761 135 482 490.0 3NG:501 Type1 Active DFGin 7.3707 14.5167 BLAminus -116.73, 177.74 60.44, 79.82 -96.62, 15.47 286.13, 83.84 -75.93, 15.05 in-in in 8.9303 Saltbr-in 2.5033 HRD-in -67.5, -54.16 75.08, -16.75 in-in-in SNCiii in-in ActLoopNT-in 2.6859 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -128.43, 170.83 APE9-dihe-na 76.46, 148.77 APE8-dihe-in -66.24, 143.06 APE8-rot-in 302.49 APE67-dihe-in -49.68, -26.63 -51.83, -51.01 APE12-dist-in 13.9696 APE11-dist-in 12.0237 APE10-dist-in 7.4359 APE9-dist-in 3.0371 None None None XRAY 2.29 0.23 0.267 A 360.0 348.0 2 25 25 0 [[156, 472]] 1.0 6fyp Homo sapiens CMGC_CLK3_HUMAN CMGC 1.2e-90 309.6 1.0 301.0 301.0 319 320 321 323 325 186 201 205 280 282 281 283.0 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK3 CLK3_HUMAN 6KHFA P49761 142 481 490.0 3NG:1000 Type1 Inactive DFGin 7.15 14.2189 BLAminus -127.11, -179.47 56.9, 68.81 -87.1, 27.16 289.67, 76.33 -67.97, -3.15 in-in in 8.8452 Saltbr-in 2.7248 HRD-out -71.79, 130.53 -107.28, 17.73 in-in-out SNCiio in-out ActLoopNT-in 2.8565 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioi APE10-dihe-na -140.37, -24.13 APE9-dihe-na -98.19, 177.1 APE8-dihe-in -67.74, 125.23 APE8-rot-in 310.54 APE67-dihe-in -68.95, -22.53 -32.12, -48.44 APE12-dist-out 14.3079 APE11-dist-in 12.3827 APE10-dist-out 8.0904 APE9-dist-in 3.6412 None None None XRAY 2.598 0.229 0.284 A 490.0 327.0 15 25 25 0 [[156, 472]] 1.0 6khf Homo sapiens CMGC_CLK3_HUMAN CMGC 3.4e-90 308.4 1.0 301.0 301.0 319 320 321 323 325 186 201 205 280 282 281 283.0 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK4 CLK4_HUMAN 6FYVA Q9HAZ1 148 479 481.0 3NG:60501 Type1 Active DFGin 7.194 14.3116 BLAminus -120.78, 176.99 65.84, 75.81 -95.62, 15.62 293.79, 91.03 -57.52, -19.12 in-in in 8.7694 Saltbr-in 2.7842 HRD-in -64.07, -51.05 77.92, -13.36 in-in-in SNCiii in-in ActLoopNT-in 2.8295 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.05, 170.31 APE9-dihe-na 72.69, 148.35 APE8-dihe-in -68.0, 139.98 APE8-rot-in 290.09 APE67-dihe-in -63.52, -22.37 -39.86, -52.09 APE12-dist-in 13.2233 APE11-dist-in 11.4076 APE10-dist-in 7.3586 APE9-dist-in 3.0267 None None None XRAY 2.46 0.204 0.223 A 337.0 329.0 3 25 25 0 [[159, 475]] 1.0 6fyv Homo sapiens CMGC_CLK4_HUMAN CMGC 8.9e-93 316.7 1.0 301.0 301.0 322 323 324 326 328 189 204 208 283 285 284 286.0 359 347 342 341 340 339 338 337 336 240 Dual specificity protein kinase CLK4
CMGC CSNK2A1 CSK21_HUMAN 9HYHA P68400 2 333 391.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4771 16.3937 BLAminus -121.68, -179.33 58.66, 73.4 -93.07, 20.44 296.95, 80.12 -72.1, -13.43 in-in in 9.5519 Saltbr-in 2.7053 HRD-in -71.8, -47.17 67.87, 7.84 in-in-out SNCiio in-out ActLoopNT-in 2.9381 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.17, 164.17 APE9-dihe-na 70.19, 157.91 APE8-dihe-in -73.34, 145.8 APE8-rot-out 156.95 APE67-dihe-in -65.82, -17.6 -47.03, -48.02 APE12-dist-in 12.6264 APE11-dist-in 10.464 APE10-dist-in 6.1328 APE9-dist-in 3.3684 None None None XRAY 1.96 0.201 0.241 A 355.0 332.0 0 27 27 0 [[39, 324]] 1.0 9hyh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAA P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.3748 16.2064 BLAminus -109.97, -178.65 53.41, 79.28 -94.14, 17.71 296.64, 82.05 -65.34, -22.88 in-in in 9.1355 Saltbr-in 2.6297 HRD-in -74.72, -46.8 68.49, 9.84 in-in-out SNCiio in-out ActLoopNT-in 2.9034 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.38, 173.93 APE9-dihe-na 62.93, -179.6 APE8-dihe-in -105.16, 145.11 APE8-rot-out 135.96 APE67-dihe-in -65.3, -19.19 -33.68, -57.22 APE12-dist-in 12.574 APE11-dist-in 10.3926 APE10-dist-in 6.0706 APE9-dist-in 3.0941 None None None XRAY 2.71 0.189 0.218 A 333.0 331.0 0 27 27 0 [[39, 324]] 1.0 3nga Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAB P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.3901 16.3368 BLAminus -109.78, -178.98 53.4, 79.2 -94.06, 17.66 296.54, 82.9 -66.35, -22.63 in-in in 9.2121 Saltbr-in 2.6288 HRD-in -75.46, -46.47 68.49, 7.96 in-in-out SNCiio in-out ActLoopNT-in 2.8902 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -124.41, 174.85 APE9-dihe-na 62.34, 178.86 APE8-dihe-in -102.65, 148.1 APE8-rot-out 136.21 APE67-dihe-in -68.17, -20.17 -36.37, -54.19 APE12-dist-in 12.6285 APE11-dist-in 10.5384 APE10-dist-in 6.1084 APE9-dist-in 3.1327 None None None XRAY 2.71 0.189 0.218 B 333.0 331.0 0 27 27 0 [[39, 324]] 1.0 3nga Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3PE1A P68400 3 329 391.0 3NG:338 Type1 Inactive DFGin 7.4402 16.2895 BLAminus -112.48, -179.47 50.32, 77.23 -88.93, 20.86 296.76, 81.48 -67.84, -19.52 in-in in 9.2026 Saltbr-in 2.7169 HRD-in -76.91, -49.2 72.12, 6.33 in-in-out SNCiio in-out ActLoopNT-in 2.9042 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.3, 170.98 APE9-dihe-na 65.07, 159.47 APE8-dihe-in -81.62, 147.33 APE8-rot-out 162.29 APE67-dihe-in -67.89, -13.96 -40.02, -55.24 APE12-dist-in 12.7238 APE11-dist-in 10.3591 APE10-dist-in 6.1574 APE9-dist-in 3.2344 None None None XRAY 1.6 0.162 0.203 A 337.0 327.0 0 27 27 0 [[39, 324]] 1.0 3pe1 Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.4e-69 240.6 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HYHB P68400 2 332 391.0 3NG:401,SY4:402 Type1,Allosteric Inactive DFGin 7.4554 16.6858 BLAminus -121.17, -179.71 60.15, 74.28 -94.36, 20.01 295.53, 80.91 -72.98, -14.61 in-in in 9.7479 Saltbr-in 2.8021 HRD-in -73.27, -48.07 68.78, 4.9 in-in-out SNCiio in-out ActLoopNT-in 2.8873 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.73, 163.63 APE9-dihe-na 71.35, 156.53 APE8-dihe-in -76.0, 150.02 APE8-rot-out 60.35 APE67-dihe-in -68.11, -15.2 -46.02, -50.6 APE12-dist-in 12.7487 APE11-dist-in 10.8432 APE10-dist-in 6.3197 APE9-dist-in 3.734 None None None XRAY 1.96 0.201 0.241 B 355.0 331.0 0 27 27 0 [[39, 324]] 1.0 9hyh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHA P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.3832 16.5654 BLAminus -118.8, -178.34 55.59, 76.92 -97.73, 18.91 299.34, 78.81 -65.83, -13.05 in-in in 9.8266 Saltbr-in 2.8728 HRD-in -78.42, -45.3 64.02, 17.48 in-in-out SNCiio in-out ActLoopNT-in 2.8723 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.04, 164.88 APE9-dihe-na 65.11, 156.36 APE8-dihe-in -63.07, 152.22 APE8-rot-out 172.82 APE67-dihe-in -64.56, -17.94 -58.04, -42.17 APE12-dist-in 12.6984 APE11-dist-in 10.4207 APE10-dist-in 6.1804 APE9-dist-in 3.3639 None None None XRAY 2.07 0.216 0.256 A 355.0 331.0 0 27 27 0 [[39, 324]] 1.0 9hzh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHB P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.3676 16.5525 BLAminus -119.62, -176.75 54.5, 77.97 -98.25, 23.82 298.23, 80.81 -69.92, -15.41 in-in in 9.7786 Saltbr-in 2.8102 HRD-in -71.72, -44.22 63.92, 15.43 in-in-out SNCiio in-out ActLoopNT-in 2.9793 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.6, 164.83 APE9-dihe-na 66.55, 154.43 APE8-dihe-in -63.65, 152.11 APE8-rot-out 176.37 APE67-dihe-in -67.11, -13.32 -56.47, -43.99 APE12-dist-in 12.7893 APE11-dist-in 10.7744 APE10-dist-in 6.3191 APE9-dist-in 3.4846 None None None XRAY 2.07 0.216 0.256 B 355.0 331.0 0 27 27 0 [[39, 324]] 1.0 9hzh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1.0 301.0 301.0 174 175 176 178 180 68 81 85 153 155 154 156.0 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A2 CSK22_HUMAN 8QBUA P19784 6 333 350.0 42J:404,3NG:405 Allosteric,Type1 Inactive DFGin 7.4806 16.1168 BLAminus -115.34, 177.54 56.37, 76.99 -87.29, 16.84 296.65, 81.34 -70.83, -16.25 in-in in 9.2428 Saltbr-in 2.7671 HRD-in -74.29, -50.68 73.5, 10.15 in-in-out SNCiio in-out ActLoopNT-in 2.8389 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.98, 166.78 APE9-dihe-na 65.99, 156.92 APE8-dihe-in -70.01, 146.12 APE8-rot-out 159.04 APE67-dihe-in -73.31, -10.45 -44.42, -45.9 APE12-dist-in 12.4618 APE11-dist-in 10.0092 APE10-dist-in 6.1073 APE9-dist-in 3.2413 C336S None None XRAY 1.09 0.16 0.179 A 364.0 328.0 0 27 27 0 [[40, 325]] 1.0 8qbu Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9IHIA P19784 7 333 350.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4146 16.0263 BLAminus -114.42, 178.99 58.97, 77.48 -92.68, 17.89 295.72, 83.62 -70.78, -17.6 in-in in 9.1661 Saltbr-in 2.8146 HRD-in -75.11, -48.36 72.21, 10.05 in-in-out SNCiio in-out ActLoopNT-in 2.8415 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.76, 169.32 APE9-dihe-na 65.88, 158.62 APE8-dihe-in -76.33, 145.23 APE8-rot-out 154.92 APE67-dihe-in -68.36, -16.5 -40.48, -52.03 APE12-dist-in 12.7831 APE11-dist-in 10.5056 APE10-dist-in 6.283 APE9-dist-in 3.2357 C336S None None XRAY 1.23 0.136 0.166 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9ihi Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9BA P19784 7 333 350.0 VN9:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4696 16.135 BLAminus -114.78, -178.63 52.36, 80.6 -90.66, 23.03 297.12, 80.84 -72.97, -19.45 in-in in 9.1641 Saltbr-in 2.8513 HRD-in -75.12, -49.8 73.87, 8.89 in-in-out SNCiio in-out ActLoopNT-in 2.8991 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.85, 168.61 APE9-dihe-na 65.18, 157.14 APE8-dihe-in -73.48, 146.48 APE8-rot-out 146.34 APE67-dihe-in -70.57, -17.74 -39.27, -49.01 APE12-dist-in 12.665 APE11-dist-in 10.4239 APE10-dist-in 6.2264 APE9-dist-in 3.23 C336S None None XRAY 1.84 0.168 0.206 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9q9b Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QB6A P19784 7 333 350.0 RDV:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.3997 16.0151 BLAminus -116.09, 178.07 58.12, 76.49 -88.07, 15.69 297.72, 81.25 -71.25, -16.82 in-in in 9.094 Saltbr-in 2.784 HRD-in -72.64, -51.36 73.74, 9.54 in-in-out SNCiio in-out ActLoopNT-in 2.8621 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -133.78, 169.18 APE9-dihe-na 62.18, 162.55 APE8-dihe-in -82.53, 146.39 APE8-rot-out 147.47 APE67-dihe-in -70.59, -14.66 -39.2, -52.96 APE12-dist-in 12.7016 APE11-dist-in 10.3731 APE10-dist-in 6.2257 APE9-dist-in 3.2118 C336S None None XRAY 1.05 0.127 0.144 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9qb6 Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QABA P19784 7 333 350.0 RA7:401,3NG:402,RA7:403 Allosteric,Type1,Allosteric Inactive DFGin 7.3763 16.117 BLAminus -113.6, 178.31 57.83, 77.52 -90.77, 14.85 296.13, 81.67 -69.28, -17.99 in-in in 9.1753 Saltbr-in 2.7602 HRD-in -72.54, -50.49 72.75, 9.89 in-in-out SNCiio in-out ActLoopNT-in 2.9018 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -130.24, 170.06 APE9-dihe-na 64.96, 162.68 APE8-dihe-in -81.37, 147.07 APE8-rot-out 150.87 APE67-dihe-in -69.81, -15.24 -39.22, -53.5 APE12-dist-in 12.7156 APE11-dist-in 10.3505 APE10-dist-in 6.2267 APE9-dist-in 3.1879 C336S None None XRAY 0.95 0.131 0.141 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9qab Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 6HMBA P19784 7 334 350.0 3NG:413 Type1 Inactive DFGin 7.5263 16.1346 BLAminus -111.55, 174.56 58.24, 78.46 -87.65, 16.17 297.85, 81.04 -69.02, -17.39 in-in in 9.1841 Saltbr-in 2.7709 HRD-in -73.83, -48.37 71.6, 10.44 in-in-out SNCiio in-out ActLoopNT-in 2.8719 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -135.43, 166.43 APE9-dihe-na 65.52, 156.91 APE8-dihe-in -69.62, 146.48 APE8-rot-out 153.38 APE67-dihe-in -70.99, -14.32 -39.92, -51.06 APE12-dist-in 12.5715 APE11-dist-in 10.1401 APE10-dist-in 6.1254 APE9-dist-in 3.2691 C336S None None XRAY 1.04 0.135 0.146 A 364.0 328.0 0 27 27 0 [[40, 325]] 1.0 6hmb Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9HK5A P19784 7 334 350.0 3NG:402 Type1 Inactive DFGin 7.5417 16.2081 BLAminus -114.65, -179.29 53.64, 80.01 -92.35, 20.62 296.39, 82.42 -74.28, -17.08 in-in in 9.2712 Saltbr-in 2.8256 HRD-in -73.22, -49.09 72.9, 4.28 in-in-out SNCiio in-out ActLoopNT-in 2.8993 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -134.78, 167.23 APE9-dihe-na 62.78, 157.39 APE8-dihe-in -75.16, 149.06 APE8-rot-out 147.29 APE67-dihe-in -68.84, -16.32 -43.13, -50.25 APE12-dist-in 12.6936 APE11-dist-in 10.3583 APE10-dist-in 6.3151 APE9-dist-in 3.2885 P32V,V83I,T101I,C336S None None XRAY 1.491 0.175 0.204 A 364.0 328.0 0 27 27 0 [[40, 325]] 1.0 9hk5 Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 3.1e-70 242.7 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9AA P19784 7 333 350.0 3NG:401,A1I4V:402 Type1,Allosteric Inactive DFGin 7.3968 16.1705 BLAminus -114.27, 179.87 56.61, 76.76 -86.69, 17.58 298.08, 81.74 -71.41, -19.01 in-in in 9.2472 Saltbr-in 2.7755 HRD-in -75.92, -48.72 71.51, 10.14 in-in-out SNCiio in-out ActLoopNT-in 2.9018 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.5, 165.78 APE9-dihe-na 68.3, 154.64 APE8-dihe-in -67.27, 146.08 APE8-rot-out 156.93 APE67-dihe-in -69.44, -15.07 -43.26, -49.96 APE12-dist-in 12.7244 APE11-dist-in 10.3892 APE10-dist-in 6.2342 APE9-dist-in 3.275 C336S None None XRAY 1.03 0.147 0.156 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9q9a Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9DA P19784 7 332 350.0 3NG:401,R9G:402 Type1,Allosteric Inactive DFGin 7.4132 16.1135 BLAminus -111.11, 176.5 58.97, 76.86 -90.38, 17.87 296.15, 81.91 -69.6, -18.64 in-in in 9.2147 Saltbr-in 2.7898 HRD-in -72.74, -49.53 71.25, 10.86 in-in-out SNCiio in-out ActLoopNT-in 2.8997 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -129.74, 169.32 APE9-dihe-na 66.15, 161.19 APE8-dihe-in -81.94, 147.26 APE8-rot-out 152.61 APE67-dihe-in -69.62, -15.68 -40.15, -53.5 APE12-dist-in 12.7352 APE11-dist-in 10.3788 APE10-dist-in 6.2205 APE9-dist-in 3.1832 C336S None None XRAY 0.89 0.148 0.159 A 370.0 326.0 0 27 27 0 [[40, 325]] 1.0 9q9d Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QAGA P19784 7 333 350.0 3NG:401,RBJ:402 Type1,Allosteric Inactive DFGin 7.4021 16.1463 BLAminus -113.78, 178.8 55.06, 77.97 -89.73, 16.81 296.32, 81.5 -70.74, -16.11 in-in in 9.2395 Saltbr-in 2.7651 HRD-in -72.83, -48.69 70.11, 10.59 in-in-out SNCiio in-out ActLoopNT-in 2.868 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -132.87, 167.19 APE9-dihe-na 64.82, 157.5 APE8-dihe-in -76.42, 146.88 APE8-rot-out 148.1 APE67-dihe-in -71.68, -14.1 -39.59, -52.28 APE12-dist-in 12.6802 APE11-dist-in 10.313 APE10-dist-in 6.2489 APE9-dist-in 3.2638 C336S None None XRAY 1.01 0.136 0.162 A 370.0 327.0 0 27 27 0 [[40, 325]] 1.0 9qag Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1.0 301.0 301.0 175 176 177 179 181 69 82 86 154 156 155 157.0 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC DYRK1A DYR1A_HUMAN 7Z5NA Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.3321 14.774 BLAminus -125.89, 175.46 60.34, 76.96 -90.72, 25.89 277.64, 75.8 -70.85, -23.55 in-in in 8.8674 Saltbr-in 2.6269 HRD-in -70.94, -45.64 77.0, -3.79 in-in-in SNCiii in-in ActLoopNT-in 2.8285 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -120.65, -35.2 APE9-dihe-na -94.12, 169.14 APE8-dihe-in -81.45, 135.48 APE8-rot-in 271.72 APE67-dihe-in -57.78, -21.85 -42.59, -54.66 APE12-dist-in 12.6821 APE11-dist-in 11.0876 APE10-dist-in 6.8083 APE9-dist-in 3.3732 None PTR321 PTR321 XRAY 2.77 0.207 0.252 A 370.0 346.0 0 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NB Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 6.9649 15.0305 BLAminus -121.53, 177.86 59.36, 74.88 -91.0, 24.04 284.65, 79.36 -69.42, -6.51 in-in in 9.0717 Saltbr-in 2.9555 HRD-in -65.31, -40.72 67.91, 3.75 in-in-in SNCiii in-in ActLoopNT-in 2.837 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.86, 165.14 APE9-dihe-na 70.53, 140.66 APE8-dihe-in -62.36, 145.8 APE8-rot-in 271.48 APE67-dihe-in -55.51, -24.3 -55.08, -48.98 APE12-dist-in 12.6516 APE11-dist-in 11.2403 APE10-dist-in 7.3918 APE9-dist-in 3.1929 None PTR321 PTR321 XRAY 2.77 0.207 0.252 B 370.0 343.0 3 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NC Q13627 134 480 763.0 3NG:501 Type1 Active DFGin 7.1253 14.8454 BLAminus -127.45, -179.8 54.81, 79.63 -96.7, 25.59 287.09, 79.21 -71.97, -4.29 in-in in 9.2181 Saltbr-in 2.9307 HRD-in -65.84, -47.16 77.48, 0.17 in-in-in SNCiii in-in ActLoopNT-in 2.9412 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.48, 175.3 APE9-dihe-na 70.69, 141.68 APE8-dihe-in -71.86, 144.08 APE8-rot-in 308.65 APE67-dihe-in -60.2, -32.88 -49.5, -49.8 APE12-dist-in 13.0342 APE11-dist-in 11.5337 APE10-dist-in 7.1481 APE9-dist-in 3.1712 None PTR321 PTR321 XRAY 2.77 0.207 0.252 C 370.0 344.0 3 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5ND Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.1302 14.8905 BLAminus -128.02, 175.09 60.57, 71.33 -86.84, 26.43 281.73, 81.64 -75.1, -14.91 in-in in 9.0813 Saltbr-in 2.6725 HRD-in -60.22, -35.39 67.3, 3.71 in-in-in SNCiii in-in ActLoopNT-in 2.8212 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.57, 171.93 APE9-dihe-na 66.97, 156.51 APE8-dihe-in -85.5, 144.03 APE8-rot-in 283.59 APE67-dihe-in -57.76, -18.64 -49.19, -52.69 APE12-dist-in 12.3898 APE11-dist-in 10.7324 APE10-dist-in 7.1105 APE9-dist-in 3.0418 None PTR321 PTR321 XRAY 2.77 0.207 0.252 D 370.0 338.0 8 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NE Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.1875 14.8412 BLAminus -123.41, -179.95 58.6, 74.9 -91.66, 28.87 284.52, 74.3 -74.18, -15.86 in-in in 8.9317 Saltbr-in 2.5987 HRD-in -66.53, -45.73 70.01, 6.86 in-in-in SNCiii in-in ActLoopNT-in 2.7293 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -118.5, 169.99 APE9-dihe-na 69.78, 136.41 APE8-dihe-in -57.94, 135.93 APE8-rot-in 298.8 APE67-dihe-in -52.87, -33.29 -49.91, -51.82 APE12-dist-in 12.549 APE11-dist-in 11.3781 APE10-dist-in 7.3247 APE9-dist-in 3.1848 None PTR321 PTR321 XRAY 2.77 0.207 0.252 E 370.0 340.0 6 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NF Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.2676 14.4998 BLAminus -134.01, 179.07 56.51, 71.89 -90.03, 23.99 289.58, 70.49 -65.64, -23.07 in-in in 9.2238 Saltbr-in 2.8672 HRD-in -69.65, -42.1 76.58, -5.06 in-in-in SNCiii in-in ActLoopNT-in 2.9434 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.88, -177.32 APE9-dihe-na 69.42, 90.94 APE8-dihe-in -27.36, 123.58 APE8-rot-in 265.98 APE67-dihe-in -50.43, -31.45 -50.21, -44.01 APE12-dist-in 13.0645 APE11-dist-in 11.2524 APE10-dist-in 6.8459 APE9-dist-in 3.1713 None PTR321 PTR321 XRAY 2.77 0.207 0.252 F 370.0 346.0 0 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NG Q13627 137 480 763.0 3NG:501 Type1 Active DFGin 7.3439 14.7808 BLAminus -131.27, 177.34 58.91, 64.55 -81.55, 37.12 289.02, 78.81 -81.79, -16.85 in-in in 8.9786 Saltbr-in 2.6293 HRD-in -65.23, -49.26 77.2, 4.64 in-in-in SNCiii in-in ActLoopNT-in 2.7185 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -134.89, 64.11 APE9-dihe-na -161.3, 162.4 APE8-dihe-in -70.8, 130.74 APE8-rot-in 279.54 APE67-dihe-in -57.11, -25.99 -52.9, -46.96 APE12-dist-in 12.7122 APE11-dist-in 11.5438 APE10-dist-in 6.7588 APE9-dist-in 3.4177 None PTR321 PTR321 XRAY 2.77 0.207 0.252 G 370.0 333.0 11 25 25 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NH Q13627 135 480 763.0 3NG:501 Type1 None DFGin 6.6792 14.8469 BLAminus -128.66, -179.58 53.82, 77.25 -93.05, 20.83 280.85, 75.88 -63.97, -13.6 in-in in 9.0745 Saltbr-in 3.0013 HRD-in -63.15, -47.83 74.92, 6.9 in-in-none SNCiin in-none ActLoopNT-in 2.7985 ActLoopCT-none nonTYR APEdihe_aaini APEdist_niii APE10-dihe-na -156.21, 166.85 APE9-dihe-na 64.29, 161.67 APE8-dihe-in -89.72, 140.84 APE8-rot-none 999.0 APE67-dihe-in -54.39, -32.97 -48.02, -56.25 APE12-dist-none 999.0 APE11-dist-in 10.614 APE10-dist-in 7.7666 APE9-dist-in 3.2077 None PTR321 PTR321 XRAY 2.77 0.207 0.252 H 370.0 307.0 39 25 21 4 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1.0 301.0 301.0 306 307 308 310 312 188 203 207 284 286 285 287.0 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 7Z1FA P49841 28 383 420.0 3NG:60401 Type1 Inactive DFGin 7.1722 14.3874 BLAminus -140.61, -172.17 56.83, 67.31 -90.44, 24.59 283.96, 78.9 -70.58, -34.2 in-in in 8.5891 Saltbr-in 2.7064 HRD-in -70.71, -48.08 68.23, 20.67 in-in-out SNCiio in-out ActLoopNT-in 2.8765 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -121.77, -56.1 APE9-dihe-na -73.95, 173.6 APE8-dihe-in -71.54, 133.95 APE8-rot-out 205.24 APE67-dihe-in -54.78, -22.55 -52.86, -47.6 APE12-dist-in 13.7113 APE11-dist-in 11.9213 APE10-dist-in 7.2574 APE9-dist-in 3.4781 None PTR216 PTR216 XRAY 3.0 0.224 0.249 A 364.0 354.0 2 27 27 0 [[56, 340]] 1.0 7z1f Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1FB P49841 38 382 420.0 3NG:60401 Type1 Inactive DFGin 6.8696 14.4685 BLAminus -141.12, -171.82 52.8, 73.11 -90.49, 20.89 285.47, 81.84 -62.59, -35.1 in-in in 9.0255 Saltbr-in 2.7633 HRD-in -68.41, -52.97 70.54, 14.05 in-in-out SNCiio in-out ActLoopNT-in 3.0394 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -122.34, -53.99 APE9-dihe-na -75.88, 165.71 APE8-dihe-in -64.92, 136.76 APE8-rot-out 179.7 APE67-dihe-in -58.44, -19.64 -54.95, -47.33 APE12-dist-in 13.527 APE11-dist-in 11.8588 APE10-dist-in 7.1538 APE9-dist-in 3.5583 None PTR216 PTR216 XRAY 3.0 0.224 0.249 B 364.0 321.0 24 27 27 0 [[56, 340]] 1.0 7z1f Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1GA P49841 27 383 420.0 3NG:60401 Type1 Active DFGin 7.2716 14.699 BLAminus -137.45, -179.93 52.32, 81.51 -93.1, 20.22 282.75, 78.65 -65.74, -16.48 in-in in 8.9685 Saltbr-in 2.7705 HRD-in -67.62, -47.44 74.98, 2.45 in-in-in SNCiii in-in ActLoopNT-in 2.9264 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -86.67, 177.94 APE9-dihe-na 70.81, 142.84 APE8-dihe-in -95.23, 170.55 APE8-rot-in 305.08 APE67-dihe-inflip 72.5, -37.64 -53.01, 158.1 APE12-dist-in 12.7846 APE11-dist-in 10.8474 APE10-dist-in 5.858 APE9-dist-in 2.9838 None None None XRAY 2.85 0.204 0.228 A 364.0 355.0 2 27 27 0 [[56, 340]] 1.0 7z1g Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC HIPK2 HIPK2_HUMAN 6P5SA Q9H2X6 185 535 1198.0 3NG:601 Type1 Inactive DFGin 7.2975 14.2301 BLAminus -121.5, -179.79 64.91, 82.62 -96.84, 22.58 294.47, 82.62 -64.48, -30.53 in-in in 8.9707 Saltbr-in 2.7611 HRD-in -77.76, -49.7 67.78, 8.12 in-in-out SNCiio in-out ActLoopNT-in 2.6387 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -113.93, 168.02 APE9-dihe-na 68.38, 155.05 APE8-dihe-in -77.17, 138.14 APE8-rot-out 185.94 APE67-dihe-in -61.16, -24.2 -57.86, -43.21 APE12-dist-in 10.5837 APE11-dist-in 11.1051 APE10-dist-in 7.4946 APE9-dist-in 3.2425 None PTR361,SEP441 PTR361,SEP441 XRAY 2.194 0.2 0.238 A 390.0 333.0 18 26 20 6 [[199, 527]] 1.0 6p5s Homo sapiens CMGC_HIPK2_HUMAN CMGC 2.6e-92 315.4 1.0 301.0 301.0 345 346 347 349 351 228 243 247 321 323 322 324.0 383 371 366 365 364 363 362 361 360 278 Homeodomain-interacting protein kinase 2

Ligand: 3NG (Silmitasertib)

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 6K3LB

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
CMGC CKA1 J9VNH4_CRYN9 6K3LB J9VNH4 5 333 338.0 3NG:401 Type1 Inactive DFGin 7.6605 16.1522 BLAminus -114.35, -178.61 52.93, 78.12 -89.9, 16.79 294.15, 81.47 -67.97, -25.55 in-in in 9.0754 Saltbr-in 2.706 HRD-in -76.39, -51.63 76.4, 5.85 in-in-out SNCiio in-out ActLoopNT-in 2.8224 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.48, 161.19 APE9-dihe-na 73.24, 164.99 APE8-dihe-in -76.46, 151.58 APE8-rot-out 148.39 APE67-dihe-in -65.37, -22.86 -51.07, -48.56 APE12-dist-in 12.8216 APE11-dist-in 10.5113 APE10-dist-in 6.3026 APE9-dist-in 3.4029 None None None XRAY 2.09 0.189 0.219 B 338.0 329.0 0 27 27 0 [[38, 323]] 1.0 6k3l Cryptococcus neoformans CMGC_CKA1_CRYN9 CMGC 6e-64 222.0 1.0 301.0 301.0 173 174 175 177 179 67 80 84 152 154 153 155.0 213 200 195 194 193 192 191 190 189 113 Casein kinase II subunit alpha