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 6.128 14.611 BLAminus -127.88, 174.91 62.14, 80.5 -88.8, 17.09 290.86, 80.03 -61.06, -19.7 in-in in 8.856 Saltbr-in 2.607 HRD-na-A -68.12, -50.16 69.42, 1.48 in-in-in SNCiii in-in ActLoopNT-in 2.877 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 9.742 APE11-dist-in 8.73 APE10-dist-in 4.861 APE9-dist-in 3.817 None SEP261 CME161,SEP261 XRAY 2.4 0.167 0.212 A 298 270 2 0 0 0 [[38, 290]] 1.0 5o11 CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1 256 256 185 186 187 189 191 67 89 93 164 166 165 167 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC CLK1 CLK1_HUMAN 6KHDC P49759 150 479 484.0 3NG:1000 Type1 Inactive DFGin 7.026 14.412 ABAminus -125.6, -45.1 -89.27, 107.55 -111.64, 19.23 292.41, 98.32 -77.1, 0.74 in-in in 8.767 Saltbr-in 2.904 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 13.371 APE11-dist-in 9.097 APE10-dist-out 11.33 APE9-dist-out 7.849 None None None XRAY 2.7 0.204 0.274 C 484 325 5 0 0 0 [[161, 477]] 1.0 6khd CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDB P49759 149 482 484.0 3NG:1000 Type1 Inactive DFGin 6.908 14.076 BLAminus -116.48, -175.0 67.35, 80.01 -102.96, 15.9 292.23, 100.48 -53.02, -40.84 in-in in 8.583 Saltbr-in 2.636 HRD-in -57.21, -57.72 79.07, -3.09 in-in-out SNCiio in-out ActLoopNT-in 2.918 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 13.582 APE11-dist-in 11.89 APE10-dist-in 6.825 APE9-dist-in 3.747 None None None XRAY 2.7 0.204 0.274 B 484 332 2 0 0 0 [[161, 477]] 1.0 6khd CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDA P49759 149 481 484.0 3NG:1000 Type1 Inactive DFGin 6.862 14.485 None -115.36, -74.37 -61.99, 112.36 -110.01, 19.25 292.55, 104.1 -59.59, -27.31 in-in in 8.753 Saltbr-in 2.455 HRD-in -79.61, -40.92 65.39, -11.49 in-in-out SNCiio in-out ActLoopNT-in 2.98 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 11.868 APE11-dist-out 7.043 APE10-dist-out 11.635 APE9-dist-none 999.0 None None None XRAY 2.7 0.204 0.274 A 484 322 11 0 0 2 [[161, 477]] 1.0 6khd CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK2 CLK2_HUMAN 6FYLA P49760 144 483 499.0 3NG:501 Type1 Active DFGin 7.161 14.637 BLAminus -119.92, -175.89 60.38, 80.92 -97.43, 16.84 290.06, 87.59 -59.22, -23.17 in-in in 9.054 Saltbr-in 2.46 HRD-in -71.74, -50.4 78.44, -13.97 in-in-in SNCiii in-in ActLoopNT-in 2.783 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 13.376 APE11-dist-in 11.885 APE10-dist-in 7.467 APE9-dist-in 2.93 None None None XRAY 1.95 0.19 0.213 A 363 340 0 0 0 0 [[163, 479]] 1.0 6fyl CMGC_CLK2_HUMAN CMGC 1.7e-92 315.7 1 301 301 326 327 328 330 332 193 208 212 287 289 288 290 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK2 CLK2_HUMAN 6KHEA P49760 144 485 499.0 3NG:1000 Type1 Inactive DFGin 7.055 14.837 BLAminus -131.68, -176.57 65.16, 73.84 -91.75, 19.3 289.49, 98.72 -67.18, -14.55 in-in in 9.186 Saltbr-in 2.61 HRD-out -72.06, 107.81 -82.72, -0.44 in-in-in SNCiii in-in ActLoopNT-in 3.114 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 13.323 APE11-dist-in 11.976 APE10-dist-in 7.484 APE9-dist-in 3.318 None None None XRAY 2.8 0.203 0.261 A 499 342 0 0 0 0 [[163, 479]] 1.0 6khe CMGC_CLK2_HUMAN CMGC 4.9e-92 314.7 1 301 301 326 327 328 330 332 193 208 212 287 289 288 290 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK3 CLK3_HUMAN 6FYPA P49761 135 482 490.0 3NG:501 Type1 Active DFGin 7.371 14.517 BLAminus -116.73, 177.74 60.44, 79.82 -96.62, 15.47 286.13, 83.84 -75.93, 15.05 in-in in 8.93 Saltbr-in 2.503 HRD-in -67.5, -54.16 75.08, -16.75 in-in-in SNCiii in-in ActLoopNT-in 2.686 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 13.97 APE11-dist-in 12.024 APE10-dist-in 7.436 APE9-dist-in 3.037 None None None XRAY 2.29 0.23 0.267 A 360 348 2 0 0 0 [[156, 472]] 1.0 6fyp CMGC_CLK3_HUMAN CMGC 1.2e-90 309.6 1 301 301 319 320 321 323 325 186 201 205 280 282 281 283 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK3 CLK3_HUMAN 6KHFA P49761 142 481 490.0 3NG:1000 Type1 Inactive DFGin 7.15 14.219 BLAminus -127.11, -179.47 56.9, 68.81 -87.1, 27.16 289.67, 76.33 -67.97, -3.15 in-in in 8.845 Saltbr-in 2.725 HRD-out -71.79, 130.53 -107.28, 17.73 in-in-out SNCiio in-out ActLoopNT-in 2.857 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 14.308 APE11-dist-in 12.383 APE10-dist-out 8.09 APE9-dist-in 3.641 None None None XRAY 2.598 0.229 0.284 A 490 327 15 0 0 0 [[156, 472]] 1.0 6khf CMGC_CLK3_HUMAN CMGC 3.4e-90 308.4 1 301 301 319 320 321 323 325 186 201 205 280 282 281 283 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK4 CLK4_HUMAN 6FYVA Q9HAZ1 148 479 481.0 3NG:60501 Type1 Active DFGin 7.194 14.312 BLAminus -120.78, 176.99 65.84, 75.81 -95.62, 15.62 293.79, 91.03 -57.52, -19.12 in-in in 8.769 Saltbr-in 2.784 HRD-in -64.07, -51.05 77.92, -13.36 in-in-in SNCiii in-in ActLoopNT-in 2.829 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 13.223 APE11-dist-in 11.408 APE10-dist-in 7.359 APE9-dist-in 3.027 None None None XRAY 2.46 0.204 0.223 A 337 329 3 0 0 0 [[159, 475]] 1.0 6fyv CMGC_CLK4_HUMAN CMGC 8.9e-93 316.7 1 301 301 322 323 324 326 328 189 204 208 283 285 284 286 359 347 342 341 340 339 338 337 336 240 Dual specificity protein kinase CLK4
CMGC CSNK2A1 CSK21_HUMAN 9HYHA P68400 2 333 391.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.477 16.394 BLAminus -121.68, -179.33 58.66, 73.4 -93.07, 20.44 296.95, 80.12 -72.1, -13.43 in-in in 9.552 Saltbr-in 2.705 HRD-in -71.8, -47.17 67.87, 7.84 in-in-out SNCiio in-out ActLoopNT-in 2.938 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 12.626 APE11-dist-in 10.464 APE10-dist-in 6.133 APE9-dist-in 3.368 None None None XRAY 1.96 0.201 0.241 A 355 332 0 0 0 0 [[39, 324]] 1.0 9hyh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAA P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.375 16.206 BLAminus -109.97, -178.65 53.41, 79.28 -94.14, 17.71 296.64, 82.05 -65.34, -22.88 in-in in 9.136 Saltbr-in 2.63 HRD-in -74.72, -46.8 68.49, 9.84 in-in-out SNCiio in-out ActLoopNT-in 2.903 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 10.393 APE10-dist-in 6.071 APE9-dist-in 3.094 None None None XRAY 2.71 0.189 0.218 A 333 331 0 0 0 0 [[39, 324]] 1.0 3nga CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAB P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.39 16.337 BLAminus -109.78, -178.98 53.4, 79.2 -94.06, 17.66 296.54, 82.9 -66.35, -22.63 in-in in 9.212 Saltbr-in 2.629 HRD-in -75.46, -46.47 68.49, 7.96 in-in-out SNCiio in-out ActLoopNT-in 2.89 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 12.629 APE11-dist-in 10.538 APE10-dist-in 6.108 APE9-dist-in 3.133 None None None XRAY 2.71 0.189 0.218 B 333 331 0 0 0 0 [[39, 324]] 1.0 3nga CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3PE1A P68400 3 329 391.0 3NG:338 Type1 Inactive DFGin 7.44 16.29 BLAminus -112.48, -179.47 50.32, 77.23 -88.93, 20.86 296.76, 81.48 -67.84, -19.52 in-in in 9.203 Saltbr-in 2.717 HRD-in -76.91, -49.2 72.12, 6.33 in-in-out SNCiio in-out ActLoopNT-in 2.904 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 12.724 APE11-dist-in 10.359 APE10-dist-in 6.157 APE9-dist-in 3.234 None None None XRAY 1.6 0.162 0.203 A 337 327 0 0 0 0 [[39, 324]] 1.0 3pe1 CMGC_CSNK2A1_HUMAN CMGC 1.4e-69 240.6 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HYHB P68400 2 332 391.0 3NG:401,SY4:402 Type1,Allosteric Inactive DFGin 7.455 16.686 BLAminus -121.17, -179.71 60.15, 74.28 -94.36, 20.01 295.53, 80.91 -72.98, -14.61 in-in in 9.748 Saltbr-in 2.802 HRD-in -73.27, -48.07 68.78, 4.9 in-in-out SNCiio in-out ActLoopNT-in 2.887 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 12.749 APE11-dist-in 10.843 APE10-dist-in 6.32 APE9-dist-in 3.734 None None None XRAY 1.96 0.201 0.241 B 355 331 0 0 0 0 [[39, 324]] 1.0 9hyh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHA P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.383 16.565 BLAminus -118.8, -178.34 55.59, 76.92 -97.73, 18.91 299.34, 78.81 -65.83, -13.05 in-in in 9.827 Saltbr-in 2.873 HRD-in -78.42, -45.3 64.02, 17.48 in-in-out SNCiio in-out ActLoopNT-in 2.872 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 12.698 APE11-dist-in 10.421 APE10-dist-in 6.18 APE9-dist-in 3.364 None None None XRAY 2.07 0.216 0.256 A 355 331 0 0 0 0 [[39, 324]] 1.0 9hzh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHB P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.368 16.552 BLAminus -119.62, -176.75 54.5, 77.97 -98.25, 23.82 298.23, 80.81 -69.92, -15.41 in-in in 9.779 Saltbr-in 2.81 HRD-in -71.72, -44.22 63.92, 15.43 in-in-out SNCiio in-out ActLoopNT-in 2.979 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 12.789 APE11-dist-in 10.774 APE10-dist-in 6.319 APE9-dist-in 3.485 None None None XRAY 2.07 0.216 0.256 B 355 331 0 0 0 0 [[39, 324]] 1.0 9hzh CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A2 CSK22_HUMAN 8QBUA P19784 6 333 350.0 42J:404,3NG:405 Allosteric,Type1 Inactive DFGin 7.481 16.117 BLAminus -115.34, 177.54 56.37, 76.99 -87.29, 16.84 296.65, 81.34 -70.83, -16.25 in-in in 9.243 Saltbr-in 2.767 HRD-in -74.29, -50.68 73.5, 10.15 in-in-out SNCiio in-out ActLoopNT-in 2.839 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 12.462 APE11-dist-in 10.009 APE10-dist-in 6.107 APE9-dist-in 3.241 C336S None None XRAY 1.09 0.16 0.179 A 364 328 0 0 0 0 [[40, 325]] 1.0 8qbu CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9IHIA P19784 7 333 350.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.415 16.026 BLAminus -114.42, 178.99 58.97, 77.48 -92.68, 17.89 295.72, 83.62 -70.78, -17.6 in-in in 9.166 Saltbr-in 2.815 HRD-in -75.11, -48.36 72.21, 10.05 in-in-out SNCiio in-out ActLoopNT-in 2.841 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 12.783 APE11-dist-in 10.506 APE10-dist-in 6.283 APE9-dist-in 3.236 C336S None None XRAY 1.23 0.136 0.166 A 370 327 0 0 0 0 [[40, 325]] 1.0 9ihi CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9BA P19784 7 333 350.0 VN9:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.47 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 9.164 Saltbr-in 2.851 HRD-in -75.12, -49.8 73.87, 8.89 in-in-out SNCiio in-out ActLoopNT-in 2.899 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 10.424 APE10-dist-in 6.226 APE9-dist-in 3.23 C336S None None XRAY 1.84 0.168 0.206 A 370 327 0 0 0 0 [[40, 325]] 1.0 9q9b CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QB6A P19784 7 333 350.0 RDV:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4 16.015 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 2.862 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 12.702 APE11-dist-in 10.373 APE10-dist-in 6.226 APE9-dist-in 3.212 C336S None None XRAY 1.05 0.127 0.144 A 370 327 0 0 0 0 [[40, 325]] 1.0 9qb6 CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 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 7.376 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 9.175 Saltbr-in 2.76 HRD-in -72.54, -50.49 72.75, 9.89 in-in-out SNCiio in-out ActLoopNT-in 2.902 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 12.716 APE11-dist-in 10.351 APE10-dist-in 6.227 APE9-dist-in 3.188 C336S None None XRAY 0.95 0.131 0.141 A 370 327 0 0 0 0 [[40, 325]] 1.0 9qab CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 6HMBA P19784 7 334 350.0 3NG:413 Type1 Inactive DFGin 7.526 16.135 BLAminus -111.55, 174.56 58.24, 78.46 -87.65, 16.17 297.85, 81.04 -69.02, -17.39 in-in in 9.184 Saltbr-in 2.771 HRD-in -73.83, -48.37 71.6, 10.44 in-in-out SNCiio in-out ActLoopNT-in 2.872 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 12.572 APE11-dist-in 10.14 APE10-dist-in 6.125 APE9-dist-in 3.269 C336S None None XRAY 1.04 0.135 0.146 A 364 328 0 0 0 0 [[40, 325]] 1.0 6hmb CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9HK5A P19784 7 334 350.0 3NG:402 Type1 Inactive DFGin 7.542 16.208 BLAminus -114.65, -179.29 53.64, 80.01 -92.35, 20.62 296.39, 82.42 -74.28, -17.08 in-in in 9.271 Saltbr-in 2.826 HRD-in -73.22, -49.09 72.9, 4.28 in-in-out SNCiio in-out ActLoopNT-in 2.899 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 12.694 APE11-dist-in 10.358 APE10-dist-in 6.315 APE9-dist-in 3.288 P32V,V83I,T101I,C336S None None XRAY 1.491 0.175 0.204 A 364 328 0 0 0 0 [[40, 325]] 1.0 9hk5 CMGC_CSNK2A2_HUMAN CMGC 3.1e-70 242.7 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9AA P19784 7 333 350.0 3NG:401,A1I4V:402 Type1,Allosteric Inactive DFGin 7.397 16.171 BLAminus -114.27, 179.87 56.61, 76.76 -86.69, 17.58 298.08, 81.74 -71.41, -19.01 in-in in 9.247 Saltbr-in 2.776 HRD-in -75.92, -48.72 71.51, 10.14 in-in-out SNCiio in-out ActLoopNT-in 2.902 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 12.724 APE11-dist-in 10.389 APE10-dist-in 6.234 APE9-dist-in 3.275 C336S None None XRAY 1.03 0.147 0.156 A 370 327 0 0 0 0 [[40, 325]] 1.0 9q9a CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9DA P19784 7 332 350.0 3NG:401,R9G:402 Type1,Allosteric Inactive DFGin 7.413 16.113 BLAminus -111.11, 176.5 58.97, 76.86 -90.38, 17.87 296.15, 81.91 -69.6, -18.64 in-in in 9.215 Saltbr-in 2.79 HRD-in -72.74, -49.53 71.25, 10.86 in-in-out SNCiio in-out ActLoopNT-in 2.9 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 12.735 APE11-dist-in 10.379 APE10-dist-in 6.221 APE9-dist-in 3.183 C336S None None XRAY 0.89 0.148 0.159 A 370 326 0 0 0 0 [[40, 325]] 1.0 9q9d CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QAGA P19784 7 333 350.0 3NG:401,RBJ:402 Type1,Allosteric Inactive DFGin 7.402 16.146 BLAminus -113.78, 178.8 55.06, 77.97 -89.73, 16.81 296.32, 81.5 -70.74, -16.11 in-in in 9.239 Saltbr-in 2.765 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 12.68 APE11-dist-in 10.313 APE10-dist-in 6.249 APE9-dist-in 3.264 C336S None None XRAY 1.01 0.136 0.162 A 370 327 0 0 0 0 [[40, 325]] 1.0 9qag CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC DYRK1A DYR1A_HUMAN 7Z5NA Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.332 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 8.867 Saltbr-in 2.627 HRD-in -70.94, -45.64 77.0, -3.79 in-in-in SNCiii in-in ActLoopNT-in 2.829 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 12.682 APE11-dist-in 11.088 APE10-dist-in 6.808 APE9-dist-in 3.373 None PTR321 PTR321 XRAY 2.77 0.207 0.252 A 370 346 0 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NB Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 6.965 15.03 BLAminus -121.53, 177.86 59.36, 74.88 -91.0, 24.04 284.65, 79.36 -69.42, -6.51 in-in in 9.072 Saltbr-in 2.955 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 12.652 APE11-dist-in 11.24 APE10-dist-in 7.392 APE9-dist-in 3.193 None PTR321 PTR321 XRAY 2.77 0.207 0.252 B 370 343 3 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NC Q13627 134 480 763.0 3NG:501 Type1 Active DFGin 7.125 14.845 BLAminus -127.45, -179.8 54.81, 79.63 -96.7, 25.59 287.09, 79.21 -71.97, -4.29 in-in in 9.218 Saltbr-in 2.931 HRD-in -65.84, -47.16 77.48, 0.17 in-in-in SNCiii in-in ActLoopNT-in 2.941 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 13.034 APE11-dist-in 11.534 APE10-dist-in 7.148 APE9-dist-in 3.171 None PTR321 PTR321 XRAY 2.77 0.207 0.252 C 370 344 3 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5ND Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.13 14.89 BLAminus -128.02, 175.09 60.57, 71.33 -86.84, 26.43 281.73, 81.64 -75.1, -14.91 in-in in 9.081 Saltbr-in 2.672 HRD-in -60.22, -35.39 67.3, 3.71 in-in-in SNCiii in-in ActLoopNT-in 2.821 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 12.39 APE11-dist-in 10.732 APE10-dist-in 7.111 APE9-dist-in 3.042 None PTR321 PTR321 XRAY 2.77 0.207 0.252 D 370 338 8 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NE Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.188 14.841 BLAminus -123.41, -179.95 58.6, 74.9 -91.66, 28.87 284.52, 74.3 -74.18, -15.86 in-in in 8.932 Saltbr-in 2.599 HRD-in -66.53, -45.73 70.01, 6.86 in-in-in SNCiii in-in ActLoopNT-in 2.729 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 11.378 APE10-dist-in 7.325 APE9-dist-in 3.185 None PTR321 PTR321 XRAY 2.77 0.207 0.252 E 370 340 6 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NF Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.268 14.5 BLAminus -134.01, 179.07 56.51, 71.89 -90.03, 23.99 289.58, 70.49 -65.64, -23.07 in-in in 9.224 Saltbr-in 2.867 HRD-in -69.65, -42.1 76.58, -5.06 in-in-in SNCiii in-in ActLoopNT-in 2.943 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 13.065 APE11-dist-in 11.252 APE10-dist-in 6.846 APE9-dist-in 3.171 None PTR321 PTR321 XRAY 2.77 0.207 0.252 F 370 346 0 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NG Q13627 137 480 763.0 3NG:501 Type1 Active DFGin 7.344 14.781 BLAminus -131.27, 177.34 58.91, 64.55 -81.55, 37.12 289.02, 78.81 -81.79, -16.85 in-in in 8.979 Saltbr-in 2.629 HRD-in -65.23, -49.26 77.2, 4.64 in-in-in SNCiii in-in ActLoopNT-in 2.719 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 12.712 APE11-dist-in 11.544 APE10-dist-in 6.759 APE9-dist-in 3.418 None PTR321 PTR321 XRAY 2.77 0.207 0.252 G 370 333 11 0 0 0 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NH Q13627 135 480 763.0 3NG:501 Type1 None DFGin 6.679 14.847 BLAminus -128.66, -179.58 53.82, 77.25 -93.05, 20.83 280.85, 75.88 -63.97, -13.6 in-in in 9.075 Saltbr-in 3.001 HRD-in -63.15, -47.83 74.92, 6.9 in-in-none SNCiin in-none ActLoopNT-in 2.799 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 7.767 APE9-dist-in 3.208 None PTR321 PTR321 XRAY 2.77 0.207 0.252 H 370 307 39 0 0 4 [[159, 479]] 1.0 7z5n CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 7Z1FA P49841 28 383 420.0 3NG:60401 Type1 Inactive DFGin 7.172 14.387 BLAminus -140.61, -172.17 56.83, 67.31 -90.44, 24.59 283.96, 78.9 -70.58, -34.2 in-in in 8.589 Saltbr-in 2.706 HRD-in -70.71, -48.08 68.23, 20.67 in-in-out SNCiio in-out ActLoopNT-in 2.877 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 13.711 APE11-dist-in 11.921 APE10-dist-in 7.257 APE9-dist-in 3.478 None PTR216 PTR216 XRAY 3.0 0.224 0.249 A 364 354 2 0 0 0 [[56, 340]] 1.0 7z1f CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1 301 301 199 200 201 203 205 85 97 101 178 180 179 181 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1FB P49841 38 382 420.0 3NG:60401 Type1 Inactive DFGin 6.87 14.469 BLAminus -141.12, -171.82 52.8, 73.11 -90.49, 20.89 285.47, 81.84 -62.59, -35.1 in-in in 9.025 Saltbr-in 2.763 HRD-in -68.41, -52.97 70.54, 14.05 in-in-out SNCiio in-out ActLoopNT-in 3.039 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 11.859 APE10-dist-in 7.154 APE9-dist-in 3.558 None PTR216 PTR216 XRAY 3.0 0.224 0.249 B 364 321 24 0 0 0 [[56, 340]] 1.0 7z1f CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1 301 301 199 200 201 203 205 85 97 101 178 180 179 181 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1GA P49841 27 383 420.0 3NG:60401 Type1 Active DFGin 7.272 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 8.969 Saltbr-in 2.771 HRD-in -67.62, -47.44 74.98, 2.45 in-in-in SNCiii in-in ActLoopNT-in 2.926 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 12.785 APE11-dist-in 10.847 APE10-dist-in 5.858 APE9-dist-in 2.984 None None None XRAY 2.85 0.204 0.228 A 364 355 2 0 0 0 [[56, 340]] 1.0 7z1g CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1 301 301 199 200 201 203 205 85 97 101 178 180 179 181 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC HIPK2 HIPK2_HUMAN 6P5SA Q9H2X6 185 535 1198.0 3NG:601 Type1 Inactive DFGin 7.298 14.23 BLAminus -121.5, -179.79 64.91, 82.62 -96.84, 22.58 294.47, 82.62 -64.48, -30.53 in-in in 8.971 Saltbr-in 2.761 HRD-in -77.76, -49.7 67.78, 8.12 in-in-out SNCiio in-out ActLoopNT-in 2.639 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 10.584 APE11-dist-in 11.105 APE10-dist-in 7.495 APE9-dist-in 3.243 None PTR361,SEP441 PTR361,SEP441 XRAY 2.194 0.2 0.238 A 390 333 18 0 0 6 [[199, 527]] 1.0 6p5s CMGC_HIPK2_HUMAN CMGC 2.6e-92 315.4 1 301 301 345 346 347 349 351 228 243 247 321 323 322 324 383 371 366 365 364 363 362 361 360 278 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 7.66 16.152 BLAminus -114.35, -178.61 52.93, 78.12 -89.9, 16.79 294.15, 81.47 -67.97, -25.55 in-in in 9.075 Saltbr-in 2.706 HRD-in -76.39, -51.63 76.4, 5.85 in-in-out SNCiio in-out ActLoopNT-in 2.822 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 12.822 APE11-dist-in 10.511 APE10-dist-in 6.303 APE9-dist-in 3.403 None None None XRAY 2.09 0.189 0.219 B 338 329 0 0 0 0 [[38, 323]] 1.0 6k3l Cryptococcus neoformans CMGC_CKA1_CRYN9 CMGC 6e-64 222.0 1 301 301 173 174 175 177 179 67 80 84 152 154 153 155 213 200 195 194 193 192 191 190 189 113 Casein kinase II subunit alpha
CAMK PIM1 PIM1_HUMAN 5O11A P11309 34 305 313.0 3NG:401 Type1 Active DFGin 6.128 14.611 BLAminus -127.88, 174.91 62.14, 80.5 -88.8, 17.09 290.86, 80.03 -61.06, -19.7 in-in in 8.856 Saltbr-in 2.607 HRD-na-A -68.12, -50.16 69.42, 1.48 in-in-in SNCiii in-in ActLoopNT-in 2.877 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 9.742 APE11-dist-in 8.73 APE10-dist-in 4.861 APE9-dist-in 3.817 None SEP261 CME161,SEP261 XRAY 2.4 0.167 0.212 A 298 270 2 0 0 0 [[38, 290]] 1.0 5o11 Homo sapiens CAMK_PIM1_HUMAN CAMK 3.4e-65 225.9 1 256 256 185 186 187 189 191 67 89 93 164 166 165 167 224 211 206 205 204 203 202 201 200 121 Serine/threonine-protein kinase pim-1
CMGC CLK1 CLK1_HUMAN 6KHDC P49759 150 479 484.0 3NG:1000 Type1 Inactive DFGin 7.026 14.412 ABAminus -125.6, -45.1 -89.27, 107.55 -111.64, 19.23 292.41, 98.32 -77.1, 0.74 in-in in 8.767 Saltbr-in 2.904 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 13.371 APE11-dist-in 9.097 APE10-dist-out 11.33 APE9-dist-out 7.849 None None None XRAY 2.7 0.204 0.274 C 484 325 5 0 0 0 [[161, 477]] 1.0 6khd Homo sapiens CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDB P49759 149 482 484.0 3NG:1000 Type1 Inactive DFGin 6.908 14.076 BLAminus -116.48, -175.0 67.35, 80.01 -102.96, 15.9 292.23, 100.48 -53.02, -40.84 in-in in 8.583 Saltbr-in 2.636 HRD-in -57.21, -57.72 79.07, -3.09 in-in-out SNCiio in-out ActLoopNT-in 2.918 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 13.582 APE11-dist-in 11.89 APE10-dist-in 6.825 APE9-dist-in 3.747 None None None XRAY 2.7 0.204 0.274 B 484 332 2 0 0 0 [[161, 477]] 1.0 6khd Homo sapiens CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK1 CLK1_HUMAN 6KHDA P49759 149 481 484.0 3NG:1000 Type1 Inactive DFGin 6.862 14.485 None -115.36, -74.37 -61.99, 112.36 -110.01, 19.25 292.55, 104.1 -59.59, -27.31 in-in in 8.753 Saltbr-in 2.455 HRD-in -79.61, -40.92 65.39, -11.49 in-in-out SNCiio in-out ActLoopNT-in 2.98 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 11.868 APE11-dist-out 7.043 APE10-dist-out 11.635 APE9-dist-none 999.0 None None None XRAY 2.7 0.204 0.274 A 484 322 11 0 0 2 [[161, 477]] 1.0 6khd Homo sapiens CMGC_CLK1_HUMAN CMGC 8.2e-93 317.4 1 301 301 324 325 326 328 330 191 206 210 285 287 286 288 361 349 344 343 342 341 340 339 338 242 Dual specificity protein kinase CLK1
CMGC CLK2 CLK2_HUMAN 6FYLA P49760 144 483 499.0 3NG:501 Type1 Active DFGin 7.161 14.637 BLAminus -119.92, -175.89 60.38, 80.92 -97.43, 16.84 290.06, 87.59 -59.22, -23.17 in-in in 9.054 Saltbr-in 2.46 HRD-in -71.74, -50.4 78.44, -13.97 in-in-in SNCiii in-in ActLoopNT-in 2.783 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 13.376 APE11-dist-in 11.885 APE10-dist-in 7.467 APE9-dist-in 2.93 None None None XRAY 1.95 0.19 0.213 A 363 340 0 0 0 0 [[163, 479]] 1.0 6fyl Homo sapiens CMGC_CLK2_HUMAN CMGC 1.7e-92 315.7 1 301 301 326 327 328 330 332 193 208 212 287 289 288 290 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK2 CLK2_HUMAN 6KHEA P49760 144 485 499.0 3NG:1000 Type1 Inactive DFGin 7.055 14.837 BLAminus -131.68, -176.57 65.16, 73.84 -91.75, 19.3 289.49, 98.72 -67.18, -14.55 in-in in 9.186 Saltbr-in 2.61 HRD-out -72.06, 107.81 -82.72, -0.44 in-in-in SNCiii in-in ActLoopNT-in 3.114 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 13.323 APE11-dist-in 11.976 APE10-dist-in 7.484 APE9-dist-in 3.318 None None None XRAY 2.8 0.203 0.261 A 499 342 0 0 0 0 [[163, 479]] 1.0 6khe Homo sapiens CMGC_CLK2_HUMAN CMGC 4.9e-92 314.7 1 301 301 326 327 328 330 332 193 208 212 287 289 288 290 363 351 346 345 344 343 342 341 340 244 Dual specificity protein kinase CLK2
CMGC CLK3 CLK3_HUMAN 6FYPA P49761 135 482 490.0 3NG:501 Type1 Active DFGin 7.371 14.517 BLAminus -116.73, 177.74 60.44, 79.82 -96.62, 15.47 286.13, 83.84 -75.93, 15.05 in-in in 8.93 Saltbr-in 2.503 HRD-in -67.5, -54.16 75.08, -16.75 in-in-in SNCiii in-in ActLoopNT-in 2.686 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 13.97 APE11-dist-in 12.024 APE10-dist-in 7.436 APE9-dist-in 3.037 None None None XRAY 2.29 0.23 0.267 A 360 348 2 0 0 0 [[156, 472]] 1.0 6fyp Homo sapiens CMGC_CLK3_HUMAN CMGC 1.2e-90 309.6 1 301 301 319 320 321 323 325 186 201 205 280 282 281 283 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK3 CLK3_HUMAN 6KHFA P49761 142 481 490.0 3NG:1000 Type1 Inactive DFGin 7.15 14.219 BLAminus -127.11, -179.47 56.9, 68.81 -87.1, 27.16 289.67, 76.33 -67.97, -3.15 in-in in 8.845 Saltbr-in 2.725 HRD-out -71.79, 130.53 -107.28, 17.73 in-in-out SNCiio in-out ActLoopNT-in 2.857 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 14.308 APE11-dist-in 12.383 APE10-dist-out 8.09 APE9-dist-in 3.641 None None None XRAY 2.598 0.229 0.284 A 490 327 15 0 0 0 [[156, 472]] 1.0 6khf Homo sapiens CMGC_CLK3_HUMAN CMGC 3.4e-90 308.4 1 301 301 319 320 321 323 325 186 201 205 280 282 281 283 356 344 339 338 337 336 335 334 333 237 Dual specificity protein kinase CLK3
CMGC CLK4 CLK4_HUMAN 6FYVA Q9HAZ1 148 479 481.0 3NG:60501 Type1 Active DFGin 7.194 14.312 BLAminus -120.78, 176.99 65.84, 75.81 -95.62, 15.62 293.79, 91.03 -57.52, -19.12 in-in in 8.769 Saltbr-in 2.784 HRD-in -64.07, -51.05 77.92, -13.36 in-in-in SNCiii in-in ActLoopNT-in 2.829 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 13.223 APE11-dist-in 11.408 APE10-dist-in 7.359 APE9-dist-in 3.027 None None None XRAY 2.46 0.204 0.223 A 337 329 3 0 0 0 [[159, 475]] 1.0 6fyv Homo sapiens CMGC_CLK4_HUMAN CMGC 8.9e-93 316.7 1 301 301 322 323 324 326 328 189 204 208 283 285 284 286 359 347 342 341 340 339 338 337 336 240 Dual specificity protein kinase CLK4
CMGC CSNK2A1 CSK21_HUMAN 9HYHA P68400 2 333 391.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.477 16.394 BLAminus -121.68, -179.33 58.66, 73.4 -93.07, 20.44 296.95, 80.12 -72.1, -13.43 in-in in 9.552 Saltbr-in 2.705 HRD-in -71.8, -47.17 67.87, 7.84 in-in-out SNCiio in-out ActLoopNT-in 2.938 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 12.626 APE11-dist-in 10.464 APE10-dist-in 6.133 APE9-dist-in 3.368 None None None XRAY 1.96 0.201 0.241 A 355 332 0 0 0 0 [[39, 324]] 1.0 9hyh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAA P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.375 16.206 BLAminus -109.97, -178.65 53.41, 79.28 -94.14, 17.71 296.64, 82.05 -65.34, -22.88 in-in in 9.136 Saltbr-in 2.63 HRD-in -74.72, -46.8 68.49, 9.84 in-in-out SNCiio in-out ActLoopNT-in 2.903 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 10.393 APE10-dist-in 6.071 APE9-dist-in 3.094 None None None XRAY 2.71 0.189 0.218 A 333 331 0 0 0 0 [[39, 324]] 1.0 3nga Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3NGAB P68400 2 332 391.0 3NG:1000 Type1 Inactive DFGin 7.39 16.337 BLAminus -109.78, -178.98 53.4, 79.2 -94.06, 17.66 296.54, 82.9 -66.35, -22.63 in-in in 9.212 Saltbr-in 2.629 HRD-in -75.46, -46.47 68.49, 7.96 in-in-out SNCiio in-out ActLoopNT-in 2.89 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 12.629 APE11-dist-in 10.538 APE10-dist-in 6.108 APE9-dist-in 3.133 None None None XRAY 2.71 0.189 0.218 B 333 331 0 0 0 0 [[39, 324]] 1.0 3nga Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.3e-69 240.6 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 3PE1A P68400 3 329 391.0 3NG:338 Type1 Inactive DFGin 7.44 16.29 BLAminus -112.48, -179.47 50.32, 77.23 -88.93, 20.86 296.76, 81.48 -67.84, -19.52 in-in in 9.203 Saltbr-in 2.717 HRD-in -76.91, -49.2 72.12, 6.33 in-in-out SNCiio in-out ActLoopNT-in 2.904 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 12.724 APE11-dist-in 10.359 APE10-dist-in 6.157 APE9-dist-in 3.234 None None None XRAY 1.6 0.162 0.203 A 337 327 0 0 0 0 [[39, 324]] 1.0 3pe1 Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.4e-69 240.6 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HYHB P68400 2 332 391.0 3NG:401,SY4:402 Type1,Allosteric Inactive DFGin 7.455 16.686 BLAminus -121.17, -179.71 60.15, 74.28 -94.36, 20.01 295.53, 80.91 -72.98, -14.61 in-in in 9.748 Saltbr-in 2.802 HRD-in -73.27, -48.07 68.78, 4.9 in-in-out SNCiio in-out ActLoopNT-in 2.887 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 12.749 APE11-dist-in 10.843 APE10-dist-in 6.32 APE9-dist-in 3.734 None None None XRAY 1.96 0.201 0.241 B 355 331 0 0 0 0 [[39, 324]] 1.0 9hyh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHA P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.383 16.565 BLAminus -118.8, -178.34 55.59, 76.92 -97.73, 18.91 299.34, 78.81 -65.83, -13.05 in-in in 9.827 Saltbr-in 2.873 HRD-in -78.42, -45.3 64.02, 17.48 in-in-out SNCiio in-out ActLoopNT-in 2.872 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 12.698 APE11-dist-in 10.421 APE10-dist-in 6.18 APE9-dist-in 3.364 None None None XRAY 2.07 0.216 0.256 A 355 331 0 0 0 0 [[39, 324]] 1.0 9hzh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A1 CSK21_HUMAN 9HZHB P68400 2 332 391.0 3NG:403,T9Y:404 Type1,Allosteric Inactive DFGin 7.368 16.552 BLAminus -119.62, -176.75 54.5, 77.97 -98.25, 23.82 298.23, 80.81 -69.92, -15.41 in-in in 9.779 Saltbr-in 2.81 HRD-in -71.72, -44.22 63.92, 15.43 in-in-out SNCiio in-out ActLoopNT-in 2.979 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 12.789 APE11-dist-in 10.774 APE10-dist-in 6.319 APE9-dist-in 3.485 None None None XRAY 2.07 0.216 0.256 B 355 331 0 0 0 0 [[39, 324]] 1.0 9hzh Homo sapiens CMGC_CSNK2A1_HUMAN CMGC 1.6e-69 240.3 1 301 301 174 175 176 178 180 68 81 85 153 155 154 156 214 201 196 195 194 193 192 191 190 114 Casein kinase II subunit alpha
CMGC CSNK2A2 CSK22_HUMAN 8QBUA P19784 6 333 350.0 42J:404,3NG:405 Allosteric,Type1 Inactive DFGin 7.481 16.117 BLAminus -115.34, 177.54 56.37, 76.99 -87.29, 16.84 296.65, 81.34 -70.83, -16.25 in-in in 9.243 Saltbr-in 2.767 HRD-in -74.29, -50.68 73.5, 10.15 in-in-out SNCiio in-out ActLoopNT-in 2.839 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 12.462 APE11-dist-in 10.009 APE10-dist-in 6.107 APE9-dist-in 3.241 C336S None None XRAY 1.09 0.16 0.179 A 364 328 0 0 0 0 [[40, 325]] 1.0 8qbu Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9IHIA P19784 7 333 350.0 SY4:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.415 16.026 BLAminus -114.42, 178.99 58.97, 77.48 -92.68, 17.89 295.72, 83.62 -70.78, -17.6 in-in in 9.166 Saltbr-in 2.815 HRD-in -75.11, -48.36 72.21, 10.05 in-in-out SNCiio in-out ActLoopNT-in 2.841 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 12.783 APE11-dist-in 10.506 APE10-dist-in 6.283 APE9-dist-in 3.236 C336S None None XRAY 1.23 0.136 0.166 A 370 327 0 0 0 0 [[40, 325]] 1.0 9ihi Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9BA P19784 7 333 350.0 VN9:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.47 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 9.164 Saltbr-in 2.851 HRD-in -75.12, -49.8 73.87, 8.89 in-in-out SNCiio in-out ActLoopNT-in 2.899 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 10.424 APE10-dist-in 6.226 APE9-dist-in 3.23 C336S None None XRAY 1.84 0.168 0.206 A 370 327 0 0 0 0 [[40, 325]] 1.0 9q9b Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QB6A P19784 7 333 350.0 RDV:401,3NG:402 Allosteric,Type1 Inactive DFGin 7.4 16.015 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 2.862 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 12.702 APE11-dist-in 10.373 APE10-dist-in 6.226 APE9-dist-in 3.212 C336S None None XRAY 1.05 0.127 0.144 A 370 327 0 0 0 0 [[40, 325]] 1.0 9qb6 Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 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 7.376 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 9.175 Saltbr-in 2.76 HRD-in -72.54, -50.49 72.75, 9.89 in-in-out SNCiio in-out ActLoopNT-in 2.902 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 12.716 APE11-dist-in 10.351 APE10-dist-in 6.227 APE9-dist-in 3.188 C336S None None XRAY 0.95 0.131 0.141 A 370 327 0 0 0 0 [[40, 325]] 1.0 9qab Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 6HMBA P19784 7 334 350.0 3NG:413 Type1 Inactive DFGin 7.526 16.135 BLAminus -111.55, 174.56 58.24, 78.46 -87.65, 16.17 297.85, 81.04 -69.02, -17.39 in-in in 9.184 Saltbr-in 2.771 HRD-in -73.83, -48.37 71.6, 10.44 in-in-out SNCiio in-out ActLoopNT-in 2.872 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 12.572 APE11-dist-in 10.14 APE10-dist-in 6.125 APE9-dist-in 3.269 C336S None None XRAY 1.04 0.135 0.146 A 364 328 0 0 0 0 [[40, 325]] 1.0 6hmb Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1e-69 241.0 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9HK5A P19784 7 334 350.0 3NG:402 Type1 Inactive DFGin 7.542 16.208 BLAminus -114.65, -179.29 53.64, 80.01 -92.35, 20.62 296.39, 82.42 -74.28, -17.08 in-in in 9.271 Saltbr-in 2.826 HRD-in -73.22, -49.09 72.9, 4.28 in-in-out SNCiio in-out ActLoopNT-in 2.899 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 12.694 APE11-dist-in 10.358 APE10-dist-in 6.315 APE9-dist-in 3.288 P32V,V83I,T101I,C336S None None XRAY 1.491 0.175 0.204 A 364 328 0 0 0 0 [[40, 325]] 1.0 9hk5 Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 3.1e-70 242.7 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9AA P19784 7 333 350.0 3NG:401,A1I4V:402 Type1,Allosteric Inactive DFGin 7.397 16.171 BLAminus -114.27, 179.87 56.61, 76.76 -86.69, 17.58 298.08, 81.74 -71.41, -19.01 in-in in 9.247 Saltbr-in 2.776 HRD-in -75.92, -48.72 71.51, 10.14 in-in-out SNCiio in-out ActLoopNT-in 2.902 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 12.724 APE11-dist-in 10.389 APE10-dist-in 6.234 APE9-dist-in 3.275 C336S None None XRAY 1.03 0.147 0.156 A 370 327 0 0 0 0 [[40, 325]] 1.0 9q9a Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9Q9DA P19784 7 332 350.0 3NG:401,R9G:402 Type1,Allosteric Inactive DFGin 7.413 16.113 BLAminus -111.11, 176.5 58.97, 76.86 -90.38, 17.87 296.15, 81.91 -69.6, -18.64 in-in in 9.215 Saltbr-in 2.79 HRD-in -72.74, -49.53 71.25, 10.86 in-in-out SNCiio in-out ActLoopNT-in 2.9 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 12.735 APE11-dist-in 10.379 APE10-dist-in 6.221 APE9-dist-in 3.183 C336S None None XRAY 0.89 0.148 0.159 A 370 326 0 0 0 0 [[40, 325]] 1.0 9q9d Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC CSNK2A2 CSK22_HUMAN 9QAGA P19784 7 333 350.0 3NG:401,RBJ:402 Type1,Allosteric Inactive DFGin 7.402 16.146 BLAminus -113.78, 178.8 55.06, 77.97 -89.73, 16.81 296.32, 81.5 -70.74, -16.11 in-in in 9.239 Saltbr-in 2.765 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 12.68 APE11-dist-in 10.313 APE10-dist-in 6.249 APE9-dist-in 3.264 C336S None None XRAY 1.01 0.136 0.162 A 370 327 0 0 0 0 [[40, 325]] 1.0 9qag Homo sapiens CMGC_CSNK2A2_HUMAN CMGC 1.1e-69 240.9 1 301 301 175 176 177 179 181 69 82 86 154 156 155 157 215 202 197 196 195 194 193 192 191 115 Casein kinase II subunit alpha'
CMGC DYRK1A DYR1A_HUMAN 7Z5NA Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.332 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 8.867 Saltbr-in 2.627 HRD-in -70.94, -45.64 77.0, -3.79 in-in-in SNCiii in-in ActLoopNT-in 2.829 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 12.682 APE11-dist-in 11.088 APE10-dist-in 6.808 APE9-dist-in 3.373 None PTR321 PTR321 XRAY 2.77 0.207 0.252 A 370 346 0 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NB Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 6.965 15.03 BLAminus -121.53, 177.86 59.36, 74.88 -91.0, 24.04 284.65, 79.36 -69.42, -6.51 in-in in 9.072 Saltbr-in 2.955 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 12.652 APE11-dist-in 11.24 APE10-dist-in 7.392 APE9-dist-in 3.193 None PTR321 PTR321 XRAY 2.77 0.207 0.252 B 370 343 3 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NC Q13627 134 480 763.0 3NG:501 Type1 Active DFGin 7.125 14.845 BLAminus -127.45, -179.8 54.81, 79.63 -96.7, 25.59 287.09, 79.21 -71.97, -4.29 in-in in 9.218 Saltbr-in 2.931 HRD-in -65.84, -47.16 77.48, 0.17 in-in-in SNCiii in-in ActLoopNT-in 2.941 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 13.034 APE11-dist-in 11.534 APE10-dist-in 7.148 APE9-dist-in 3.171 None PTR321 PTR321 XRAY 2.77 0.207 0.252 C 370 344 3 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5ND Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.13 14.89 BLAminus -128.02, 175.09 60.57, 71.33 -86.84, 26.43 281.73, 81.64 -75.1, -14.91 in-in in 9.081 Saltbr-in 2.672 HRD-in -60.22, -35.39 67.3, 3.71 in-in-in SNCiii in-in ActLoopNT-in 2.821 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 12.39 APE11-dist-in 10.732 APE10-dist-in 7.111 APE9-dist-in 3.042 None PTR321 PTR321 XRAY 2.77 0.207 0.252 D 370 338 8 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NE Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.188 14.841 BLAminus -123.41, -179.95 58.6, 74.9 -91.66, 28.87 284.52, 74.3 -74.18, -15.86 in-in in 8.932 Saltbr-in 2.599 HRD-in -66.53, -45.73 70.01, 6.86 in-in-in SNCiii in-in ActLoopNT-in 2.729 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 11.378 APE10-dist-in 7.325 APE9-dist-in 3.185 None PTR321 PTR321 XRAY 2.77 0.207 0.252 E 370 340 6 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NF Q13627 135 480 763.0 3NG:501 Type1 Active DFGin 7.268 14.5 BLAminus -134.01, 179.07 56.51, 71.89 -90.03, 23.99 289.58, 70.49 -65.64, -23.07 in-in in 9.224 Saltbr-in 2.867 HRD-in -69.65, -42.1 76.58, -5.06 in-in-in SNCiii in-in ActLoopNT-in 2.943 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 13.065 APE11-dist-in 11.252 APE10-dist-in 6.846 APE9-dist-in 3.171 None PTR321 PTR321 XRAY 2.77 0.207 0.252 F 370 346 0 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NG Q13627 137 480 763.0 3NG:501 Type1 Active DFGin 7.344 14.781 BLAminus -131.27, 177.34 58.91, 64.55 -81.55, 37.12 289.02, 78.81 -81.79, -16.85 in-in in 8.979 Saltbr-in 2.629 HRD-in -65.23, -49.26 77.2, 4.64 in-in-in SNCiii in-in ActLoopNT-in 2.719 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 12.712 APE11-dist-in 11.544 APE10-dist-in 6.759 APE9-dist-in 3.418 None PTR321 PTR321 XRAY 2.77 0.207 0.252 G 370 333 11 0 0 0 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC DYRK1A DYR1A_HUMAN 7Z5NH Q13627 135 480 763.0 3NG:501 Type1 None DFGin 6.679 14.847 BLAminus -128.66, -179.58 53.82, 77.25 -93.05, 20.83 280.85, 75.88 -63.97, -13.6 in-in in 9.075 Saltbr-in 3.001 HRD-in -63.15, -47.83 74.92, 6.9 in-in-none SNCiin in-none ActLoopNT-in 2.799 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 7.767 APE9-dist-in 3.208 None PTR321 PTR321 XRAY 2.77 0.207 0.252 H 370 307 39 0 0 4 [[159, 479]] 1.0 7z5n Homo sapiens CMGC_DYRK1A_HUMAN CMGC 9.2e-91 310.1 1 301 301 306 307 308 310 312 188 203 207 284 286 285 287 343 331 326 325 324 323 322 321 320 239 Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 7Z1FA P49841 28 383 420.0 3NG:60401 Type1 Inactive DFGin 7.172 14.387 BLAminus -140.61, -172.17 56.83, 67.31 -90.44, 24.59 283.96, 78.9 -70.58, -34.2 in-in in 8.589 Saltbr-in 2.706 HRD-in -70.71, -48.08 68.23, 20.67 in-in-out SNCiio in-out ActLoopNT-in 2.877 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 13.711 APE11-dist-in 11.921 APE10-dist-in 7.257 APE9-dist-in 3.478 None PTR216 PTR216 XRAY 3.0 0.224 0.249 A 364 354 2 0 0 0 [[56, 340]] 1.0 7z1f Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1 301 301 199 200 201 203 205 85 97 101 178 180 179 181 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1FB P49841 38 382 420.0 3NG:60401 Type1 Inactive DFGin 6.87 14.469 BLAminus -141.12, -171.82 52.8, 73.11 -90.49, 20.89 285.47, 81.84 -62.59, -35.1 in-in in 9.025 Saltbr-in 2.763 HRD-in -68.41, -52.97 70.54, 14.05 in-in-out SNCiio in-out ActLoopNT-in 3.039 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 11.859 APE10-dist-in 7.154 APE9-dist-in 3.558 None PTR216 PTR216 XRAY 3.0 0.224 0.249 B 364 321 24 0 0 0 [[56, 340]] 1.0 7z1f Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1 301 301 199 200 201 203 205 85 97 101 178 180 179 181 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 7Z1GA P49841 27 383 420.0 3NG:60401 Type1 Active DFGin 7.272 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 8.969 Saltbr-in 2.771 HRD-in -67.62, -47.44 74.98, 2.45 in-in-in SNCiii in-in ActLoopNT-in 2.926 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 12.785 APE11-dist-in 10.847 APE10-dist-in 5.858 APE9-dist-in 2.984 None None None XRAY 2.85 0.204 0.228 A 364 355 2 0 0 0 [[56, 340]] 1.0 7z1g Homo sapiens CMGC_GSK3B_HUMAN CMGC 2e-70 243.5 1 301 301 199 200 201 203 205 85 97 101 178 180 179 181 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC HIPK2 HIPK2_HUMAN 6P5SA Q9H2X6 185 535 1198.0 3NG:601 Type1 Inactive DFGin 7.298 14.23 BLAminus -121.5, -179.79 64.91, 82.62 -96.84, 22.58 294.47, 82.62 -64.48, -30.53 in-in in 8.971 Saltbr-in 2.761 HRD-in -77.76, -49.7 67.78, 8.12 in-in-out SNCiio in-out ActLoopNT-in 2.639 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 10.584 APE11-dist-in 11.105 APE10-dist-in 7.495 APE9-dist-in 3.243 None PTR361,SEP441 PTR361,SEP441 XRAY 2.194 0.2 0.238 A 390 333 18 0 0 6 [[199, 527]] 1.0 6p5s Homo sapiens CMGC_HIPK2_HUMAN CMGC 2.6e-92 315.4 1 301 301 345 346 347 349 351 228 243 247 321 323 322 324 383 371 366 365 364 363 362 361 360 278 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 7.66 16.152 BLAminus -114.35, -178.61 52.93, 78.12 -89.9, 16.79 294.15, 81.47 -67.97, -25.55 in-in in 9.075 Saltbr-in 2.706 HRD-in -76.39, -51.63 76.4, 5.85 in-in-out SNCiio in-out ActLoopNT-in 2.822 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 12.822 APE11-dist-in 10.511 APE10-dist-in 6.303 APE9-dist-in 3.403 None None None XRAY 2.09 0.189 0.219 B 338 329 0 0 0 0 [[38, 323]] 1.0 6k3l Cryptococcus neoformans CMGC_CKA1_CRYN9 CMGC 6e-64 222.0 1 301 301 173 174 175 177 179 67 80 84 152 154 153 155 213 200 195 194 193 192 191 190 189 113 Casein kinase II subunit alpha