Ligand: 3RA

Total number of chains: 7
Active chains: 5
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 100.0% 4GW8A

Hover over column headers for tooltip help

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 4GW8A P11309 33 305 313.0 3RA:401 Type1 Active DFGin 6.236 14.614 BLAminus -126.36, 165.58 62.03, 83.71 -89.36, 16.13 285.86, 76.28 -67.97, -17.62 in-in in 8.737 Saltbr-in 2.715 HRD-na-A -74.23, -46.85 73.75, 9.79 in-in-in SNCiii in-in ActLoopNT-in 2.888 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.85, 8.01 APE9-dihe-na -80.24, -160.25 APE8-dihe-in -87.85, 121.5 APE8-rot-in 304.03 APE67-dihe-in -71.21, -12.4 -59.35, -38.89 APE12-dist-in 9.482 APE11-dist-in 8.299 APE10-dist-in 4.444 APE9-dist-in 3.743 R250G None None XRAY 2.0 0.178 0.213 A 313 273 0 0 0 0 [[38, 290]] 1.0 4gw8 CAMK_PIM1_HUMAN CAMK 1.5e-64 223.7 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 CLK3 CLK3_HUMAN 3RAWA P49761 134 484 490.0 3RA:1 Type1 Active DFGin 6.902 14.094 BLAminus -124.35, 169.55 70.36, 85.35 -106.01, 17.22 295.02, 93.37 -60.15, -19.42 in-in in 8.723 Saltbr-in 2.53 HRD-in -75.41, -55.66 80.86, -13.12 in-in-in SNCiii in-in ActLoopNT-in 2.834 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.35, 172.08 APE9-dihe-na 79.18, 152.43 APE8-dihe-in -65.73, 139.23 APE8-rot-in 296.11 APE67-dihe-in -63.4, -21.96 -51.62, -42.74 APE12-dist-in 13.898 APE11-dist-in 11.94 APE10-dist-in 7.402 APE9-dist-in 3.059 None None None XRAY 2.09 0.182 0.219 A 381 351 0 0 0 0 [[156, 472]] 1.0 3raw CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 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 CLK3 CLK3_HUMAN 3RAWB P49761 136 484 490.0 3RA:2 Type1 Inactive DFGin 6.965 14.237 BLAminus -117.05, 172.91 67.87, 90.75 -108.68, 15.88 294.71, 94.5 -64.13, -12.21 in-in in 8.834 Saltbr-in 2.616 HRD-in -69.6, -50.25 74.29, -8.39 in-in-out SNCiio in-out ActLoopNT-in 2.79 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -132.65, 172.79 APE9-dihe-na 79.02, 155.93 APE8-dihe-in -74.0, 140.2 APE8-rot-in 285.33 APE67-dihe-in -62.33, -24.2 -48.19, -48.04 APE12-dist-out 14.116 APE11-dist-in 11.909 APE10-dist-in 7.488 APE9-dist-in 3.002 None None None XRAY 2.09 0.182 0.219 B 381 349 0 0 0 0 [[156, 472]] 1.0 3raw CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 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 DYRK1A DYR1A_HUMAN 4AZEA Q13627 132 481 763.0 3RA:700 Type1 Active DFGin 6.953 14.616 BLAminus -137.23, 169.92 67.49, 90.44 -106.39, 23.89 283.3, 71.95 -55.61, -37.62 in-in in 9.01 Saltbr-in 2.812 HRD-in -70.04, -49.18 72.92, 15.43 in-in-in SNCiii in-in ActLoopNT-in 2.874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.19, 169.65 APE9-dihe-na 74.45, 134.72 APE8-dihe-in -60.37, 136.79 APE8-rot-in 289.06 APE67-dihe-in -57.82, -32.3 -48.27, -49.81 APE12-dist-in 12.265 APE11-dist-in 10.562 APE10-dist-in 6.635 APE9-dist-in 3.256 None SEP301,PTR321 SEP301,PTR321 XRAY 3.15 0.219 0.248 A 382 350 0 0 0 0 [[159, 479]] 1.0 4aze CMGC_DYRK1A_HUMAN CMGC 1e-90 310.0 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 4AZEB Q13627 135 481 763.0 3RA:700 Type1 Active DFGin 6.924 14.613 BLAminus -138.16, 169.5 68.4, 90.42 -106.1, 24.2 283.49, 72.02 -57.21, -35.99 in-in in 9.022 Saltbr-in 2.9 HRD-in -69.57, -48.1 73.99, 12.32 in-in-in SNCiii in-in ActLoopNT-in 2.833 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.81, 169.0 APE9-dihe-na 74.6, 134.75 APE8-dihe-in -60.95, 138.61 APE8-rot-in 290.43 APE67-dihe-in -56.44, -36.37 -49.68, -48.78 APE12-dist-in 12.276 APE11-dist-in 10.559 APE10-dist-in 6.631 APE9-dist-in 3.226 None SEP301,PTR321 SEP301,PTR321 XRAY 3.15 0.219 0.248 B 382 347 0 0 0 0 [[159, 479]] 1.0 4aze CMGC_DYRK1A_HUMAN CMGC 1e-90 310.0 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 4AZEC Q13627 132 481 763.0 3RA:700 Type1 Active DFGin 6.933 14.607 BLAminus -136.67, 171.08 67.02, 92.32 -107.7, 25.06 283.25, 71.9 -57.45, -37.58 in-in in 9.002 Saltbr-in 2.835 HRD-in -68.51, -50.21 73.5, 15.7 in-in-in SNCiii in-in ActLoopNT-in 2.842 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.49, 169.71 APE9-dihe-na 73.57, 134.86 APE8-dihe-in -60.52, 139.24 APE8-rot-in 289.26 APE67-dihe-in -57.24, -34.82 -50.4, -48.08 APE12-dist-in 12.316 APE11-dist-in 10.569 APE10-dist-in 6.591 APE9-dist-in 3.28 None SEP301,PTR321 SEP301,PTR321 XRAY 3.15 0.219 0.248 C 382 350 0 0 0 0 [[159, 479]] 1.0 4aze CMGC_DYRK1A_HUMAN CMGC 1e-90 310.0 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 DYRK2 DYRK2_HUMAN 4AZFA Q92630 146 536 601.0 3RA:60600 Type1 Inactive DFGin 6.995 15.39 BLAminus -118.77, 179.61 61.33, 77.52 -93.54, 30.44 283.47, 77.53 -76.64, -12.42 in-in in 9.082 Saltbr-in 2.733 HRD-in -73.11, -47.79 80.4, -7.32 in-in-out SNCiio in-out ActLoopNT-in 2.921 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -141.82, 174.61 APE9-dihe-na 70.03, 158.03 APE8-dihe-in -81.89, 134.84 APE8-rot-out 174.41 APE67-dihe-in -64.03, -20.73 -38.64, -55.03 APE12-dist-in 10.247 APE11-dist-in 11.617 APE10-dist-in 7.116 APE9-dist-in 3.212 None PTR382,SEP458 PTR382,SEP458 XRAY 2.55 0.2 0.255 A 417 389 2 0 0 0 [[222, 535]] 1.0 4azf CMGC_DYRK2_HUMAN CMGC 1.3e-98 336.0 1 301 301 367 368 369 371 373 251 266 270 345 347 346 348 404 392 387 386 385 384 383 382 381 302 Dual specificity tyrosine-phosphorylation-regulated kinase 2

Ligand: 3RA

Total number of chains: 7
Active chains: 5
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 7 100.0% 4GW8A

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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
CAMK PIM1 PIM1_HUMAN 4GW8A P11309 33 305 313.0 3RA:401 Type1 Active DFGin 6.236 14.614 BLAminus -126.36, 165.58 62.03, 83.71 -89.36, 16.13 285.86, 76.28 -67.97, -17.62 in-in in 8.737 Saltbr-in 2.715 HRD-na-A -74.23, -46.85 73.75, 9.79 in-in-in SNCiii in-in ActLoopNT-in 2.888 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.85, 8.01 APE9-dihe-na -80.24, -160.25 APE8-dihe-in -87.85, 121.5 APE8-rot-in 304.03 APE67-dihe-in -71.21, -12.4 -59.35, -38.89 APE12-dist-in 9.482 APE11-dist-in 8.299 APE10-dist-in 4.444 APE9-dist-in 3.743 R250G None None XRAY 2.0 0.178 0.213 A 313 273 0 0 0 0 [[38, 290]] 1.0 4gw8 Homo sapiens CAMK_PIM1_HUMAN CAMK 1.5e-64 223.7 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 CLK3 CLK3_HUMAN 3RAWA P49761 134 484 490.0 3RA:1 Type1 Active DFGin 6.902 14.094 BLAminus -124.35, 169.55 70.36, 85.35 -106.01, 17.22 295.02, 93.37 -60.15, -19.42 in-in in 8.723 Saltbr-in 2.53 HRD-in -75.41, -55.66 80.86, -13.12 in-in-in SNCiii in-in ActLoopNT-in 2.834 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.35, 172.08 APE9-dihe-na 79.18, 152.43 APE8-dihe-in -65.73, 139.23 APE8-rot-in 296.11 APE67-dihe-in -63.4, -21.96 -51.62, -42.74 APE12-dist-in 13.898 APE11-dist-in 11.94 APE10-dist-in 7.402 APE9-dist-in 3.059 None None None XRAY 2.09 0.182 0.219 A 381 351 0 0 0 0 [[156, 472]] 1.0 3raw Homo sapiens CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 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 CLK3 CLK3_HUMAN 3RAWB P49761 136 484 490.0 3RA:2 Type1 Inactive DFGin 6.965 14.237 BLAminus -117.05, 172.91 67.87, 90.75 -108.68, 15.88 294.71, 94.5 -64.13, -12.21 in-in in 8.834 Saltbr-in 2.616 HRD-in -69.6, -50.25 74.29, -8.39 in-in-out SNCiio in-out ActLoopNT-in 2.79 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -132.65, 172.79 APE9-dihe-na 79.02, 155.93 APE8-dihe-in -74.0, 140.2 APE8-rot-in 285.33 APE67-dihe-in -62.33, -24.2 -48.19, -48.04 APE12-dist-out 14.116 APE11-dist-in 11.909 APE10-dist-in 7.488 APE9-dist-in 3.002 None None None XRAY 2.09 0.182 0.219 B 381 349 0 0 0 0 [[156, 472]] 1.0 3raw Homo sapiens CMGC_CLK3_HUMAN CMGC 1.5e-90 309.4 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 DYRK1A DYR1A_HUMAN 4AZEA Q13627 132 481 763.0 3RA:700 Type1 Active DFGin 6.953 14.616 BLAminus -137.23, 169.92 67.49, 90.44 -106.39, 23.89 283.3, 71.95 -55.61, -37.62 in-in in 9.01 Saltbr-in 2.812 HRD-in -70.04, -49.18 72.92, 15.43 in-in-in SNCiii in-in ActLoopNT-in 2.874 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -127.19, 169.65 APE9-dihe-na 74.45, 134.72 APE8-dihe-in -60.37, 136.79 APE8-rot-in 289.06 APE67-dihe-in -57.82, -32.3 -48.27, -49.81 APE12-dist-in 12.265 APE11-dist-in 10.562 APE10-dist-in 6.635 APE9-dist-in 3.256 None SEP301,PTR321 SEP301,PTR321 XRAY 3.15 0.219 0.248 A 382 350 0 0 0 0 [[159, 479]] 1.0 4aze Homo sapiens CMGC_DYRK1A_HUMAN CMGC 1e-90 310.0 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 4AZEB Q13627 135 481 763.0 3RA:700 Type1 Active DFGin 6.924 14.613 BLAminus -138.16, 169.5 68.4, 90.42 -106.1, 24.2 283.49, 72.02 -57.21, -35.99 in-in in 9.022 Saltbr-in 2.9 HRD-in -69.57, -48.1 73.99, 12.32 in-in-in SNCiii in-in ActLoopNT-in 2.833 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -125.81, 169.0 APE9-dihe-na 74.6, 134.75 APE8-dihe-in -60.95, 138.61 APE8-rot-in 290.43 APE67-dihe-in -56.44, -36.37 -49.68, -48.78 APE12-dist-in 12.276 APE11-dist-in 10.559 APE10-dist-in 6.631 APE9-dist-in 3.226 None SEP301,PTR321 SEP301,PTR321 XRAY 3.15 0.219 0.248 B 382 347 0 0 0 0 [[159, 479]] 1.0 4aze Homo sapiens CMGC_DYRK1A_HUMAN CMGC 1e-90 310.0 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 4AZEC Q13627 132 481 763.0 3RA:700 Type1 Active DFGin 6.933 14.607 BLAminus -136.67, 171.08 67.02, 92.32 -107.7, 25.06 283.25, 71.9 -57.45, -37.58 in-in in 9.002 Saltbr-in 2.835 HRD-in -68.51, -50.21 73.5, 15.7 in-in-in SNCiii in-in ActLoopNT-in 2.842 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -126.49, 169.71 APE9-dihe-na 73.57, 134.86 APE8-dihe-in -60.52, 139.24 APE8-rot-in 289.26 APE67-dihe-in -57.24, -34.82 -50.4, -48.08 APE12-dist-in 12.316 APE11-dist-in 10.569 APE10-dist-in 6.591 APE9-dist-in 3.28 None SEP301,PTR321 SEP301,PTR321 XRAY 3.15 0.219 0.248 C 382 350 0 0 0 0 [[159, 479]] 1.0 4aze Homo sapiens CMGC_DYRK1A_HUMAN CMGC 1e-90 310.0 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 DYRK2 DYRK2_HUMAN 4AZFA Q92630 146 536 601.0 3RA:60600 Type1 Inactive DFGin 6.995 15.39 BLAminus -118.77, 179.61 61.33, 77.52 -93.54, 30.44 283.47, 77.53 -76.64, -12.42 in-in in 9.082 Saltbr-in 2.733 HRD-in -73.11, -47.79 80.4, -7.32 in-in-out SNCiio in-out ActLoopNT-in 2.921 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -141.82, 174.61 APE9-dihe-na 70.03, 158.03 APE8-dihe-in -81.89, 134.84 APE8-rot-out 174.41 APE67-dihe-in -64.03, -20.73 -38.64, -55.03 APE12-dist-in 10.247 APE11-dist-in 11.617 APE10-dist-in 7.116 APE9-dist-in 3.212 None PTR382,SEP458 PTR382,SEP458 XRAY 2.55 0.2 0.255 A 417 389 2 0 0 0 [[222, 535]] 1.0 4azf Homo sapiens CMGC_DYRK2_HUMAN CMGC 1.3e-98 336.0 1 301 301 367 368 369 371 373 251 266 270 345 347 346 348 404 392 387 386 385 384 383 382 381 302 Dual specificity tyrosine-phosphorylation-regulated kinase 2

Ligand: 3RA

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

Hover over column headers for tooltip help

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