Ligand: PVB

Total number of chains: 4
Active chains: 1
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 50.0% 6BL8A
DFGin BLAminus 1 25.0% 2X7GA
DFGin BLBtrans 1 25.0% 1CKPA
All chains - renumbered by
Uniprot PDB Alignment

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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
CMGC CDK2 CDK2_HUMAN 1CKPA P24941 1 298 298.0 PVB:299 Type1 Inactive DFGin 10.658 18.247 BLBtrans -110.41, 150.24 71.15, 24.27 -67.17, 134.25 229.06, 112.41 76.43, -10.92 out-out out 14.934 Saltbr-out 16.231 HRD-in -94.15, -50.27 76.12, -14.13 out-out-out SNCooo out-out ActLoopNT-out 5.838 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -23.52 APE8-dihe-in -85.27, 133.01 APE8-rot-in 300.53 APE67-dihe-in -51.88, -29.25 -105.56, -4.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.845 None None None XRAY 2.05 0.192 0.26 A 298 279 19 0 0 11 [[4, 286]] 1.0 1ckp CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC SRPK2 SRPK2_HUMAN 2X7GA P78362 70 688 688.0 PVB:60800 Type1 Active DFGin 6.343 14.107 BLAminus -128.74, -179.39 66.41, 58.37 -81.24, 14.81 279.2, 74.33 -63.9, -26.95 in-in in 9.242 Saltbr-in 2.909 HRD-in -67.93, -48.25 75.57, -2.95 in-in-in SNCiii in-in ActLoopNT-in 2.796 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.45, 165.76 APE9-dihe-na 75.56, 138.69 APE8-dihe-in -64.1, 142.81 APE8-rot-in 298.03 APE67-dihe-in -73.59, -20.32 -42.28, -53.08 APE12-dist-in 12.297 APE11-dist-in 10.522 APE10-dist-in 7.636 APE9-dist-in 3.224 None None None XRAY 2.5 0.186 0.249 A 389 344 24 0 0 0 [[81, 686]] 1.0 2x7g CMGC_SRPK2_HUMAN CMGC 1.4e-144 486.7 1 301 301 529 530 531 533 535 110 125 129 211 213 212 214 566 554 549 548 547 546 545 544 543 167 SRSF protein kinase 2
TYR ABL1 ABL1_HUMAN 6BL8A P00519 233 502 1130.0 PVB:601 Type1 Inactive DFGinter 8.638 5.129 None -71.96, 143.85 -136.17, 39.9 -72.13, -37.4 288.6, 104.47 -92.65, 14.81 in-out in 8.634 Saltbr-out 7.155 HRD-in -90.04, -55.84 74.1, 2.35 out-out-in SNCooi out-in ActLoopNT-out 5.726 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.55, 128.85 APE9-dihe-in -120.75, 157.5 APE8-dihe-in -76.2, 98.23 APE8-rot-na 22.7 APE67-dihe-in -70.51, -5.85 -42.21, -49.52 APE12-dist-na 19.841 APE11-dist-na 15.131 APE10-dist-na 17.437 APE9-dist-in 7.088 None None None XRAY 2.5 0.177 0.204 A 272 270 0 0 0 0 [[242, 495]] 1.0 6bl8 TYR_ABL1_HUMAN TYR 1e-99 339.0 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 6BL8B P00519 233 504 1130.0 PVB:601 Type1 Inactive DFGinter 8.616 5.229 None -71.73, 142.55 -134.64, 39.69 -72.51, -38.46 288.36, 104.6 -92.85, 14.3 in-none in 8.487 Saltbr-none 999.0 HRD-in -91.59, -53.55 75.4, -2.02 none-out-in SNCnoi out-in ActLoopNT-out 5.421 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.94, 127.06 APE9-dihe-in -119.46, 155.16 APE8-dihe-in -72.29, 100.21 APE8-rot-na 22.45 APE67-dihe-in -69.04, -6.83 -41.1, -50.73 APE12-dist-na 19.223 APE11-dist-na 14.504 APE10-dist-na 17.351 APE9-dist-in 6.845 None None None XRAY 2.5 0.177 0.204 B 272 268 4 0 0 1 [[242, 495]] 1.0 6bl8 TYR_ABL1_HUMAN TYR 1e-99 339.0 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: PVB

Total number of chains: 6
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGinter None 2 33.3% 6BL8A
None None 2 33.3% 1V0PA
DFGin BLAminus 1 16.7% 2X7GA
DFGin BLBtrans 1 16.7% 1CKPA
All chains - renumbered by
Uniprot PDB Alignment

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
CMGC CDK2 CDK2_HUMAN 1CKPA P24941 1 298 298.0 PVB:299 Type1 Inactive DFGin 10.658 18.247 BLBtrans -110.41, 150.24 71.15, 24.27 -67.17, 134.25 229.06, 112.41 76.43, -10.92 out-out out 14.934 Saltbr-out 16.231 HRD-in -94.15, -50.27 76.12, -14.13 out-out-out SNCooo out-out ActLoopNT-out 5.838 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -23.52 APE8-dihe-in -85.27, 133.01 APE8-rot-in 300.53 APE67-dihe-in -51.88, -29.25 -105.56, -4.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.845 None None None XRAY 2.05 0.192 0.26 A 298 279 19 0 0 11 [[4, 286]] 1.0 1ckp Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1 301 301 144 145 146 148 150 33 51 55 124 126 125 127 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC SRPK2 SRPK2_HUMAN 2X7GA P78362 70 688 688.0 PVB:60800 Type1 Active DFGin 6.343 14.107 BLAminus -128.74, -179.39 66.41, 58.37 -81.24, 14.81 279.2, 74.33 -63.9, -26.95 in-in in 9.242 Saltbr-in 2.909 HRD-in -67.93, -48.25 75.57, -2.95 in-in-in SNCiii in-in ActLoopNT-in 2.796 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -119.45, 165.76 APE9-dihe-na 75.56, 138.69 APE8-dihe-in -64.1, 142.81 APE8-rot-in 298.03 APE67-dihe-in -73.59, -20.32 -42.28, -53.08 APE12-dist-in 12.297 APE11-dist-in 10.522 APE10-dist-in 7.636 APE9-dist-in 3.224 None None None XRAY 2.5 0.186 0.249 A 389 344 24 0 0 0 [[81, 686]] 1.0 2x7g Homo sapiens CMGC_SRPK2_HUMAN CMGC 1.4e-144 486.7 1 301 301 529 530 531 533 535 110 125 129 211 213 212 214 566 554 549 548 547 546 545 544 543 167 SRSF protein kinase 2
TYR ABL1 ABL1_HUMAN 6BL8A P00519 233 502 1130.0 PVB:601 Type1 Inactive DFGinter 8.638 5.129 None -71.96, 143.85 -136.17, 39.9 -72.13, -37.4 288.6, 104.47 -92.65, 14.81 in-out in 8.634 Saltbr-out 7.155 HRD-in -90.04, -55.84 74.1, 2.35 out-out-in SNCooi out-in ActLoopNT-out 5.726 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.55, 128.85 APE9-dihe-in -120.75, 157.5 APE8-dihe-in -76.2, 98.23 APE8-rot-na 22.7 APE67-dihe-in -70.51, -5.85 -42.21, -49.52 APE12-dist-na 19.841 APE11-dist-na 15.131 APE10-dist-na 17.437 APE9-dist-in 7.088 None None None XRAY 2.5 0.177 0.204 A 272 270 0 0 0 0 [[242, 495]] 1.0 6bl8 Homo sapiens TYR_ABL1_HUMAN TYR 1e-99 339.0 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 6BL8B P00519 233 504 1130.0 PVB:601 Type1 Inactive DFGinter 8.616 5.229 None -71.73, 142.55 -134.64, 39.69 -72.51, -38.46 288.36, 104.6 -92.85, 14.3 in-none in 8.487 Saltbr-none 999.0 HRD-in -91.59, -53.55 75.4, -2.02 none-out-in SNCnoi out-in ActLoopNT-out 5.421 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -102.94, 127.06 APE9-dihe-in -119.46, 155.16 APE8-dihe-in -72.29, 100.21 APE8-rot-na 22.45 APE67-dihe-in -69.04, -6.83 -41.1, -50.73 APE12-dist-na 19.223 APE11-dist-na 14.504 APE10-dist-na 17.351 APE9-dist-in 6.845 None None None XRAY 2.5 0.177 0.204 B 272 268 4 0 0 1 [[242, 495]] 1.0 6bl8 Homo sapiens TYR_ABL1_HUMAN TYR 1e-99 339.0 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
CMGC CRK2 CDK2H_PLAFK 1V0PA Q07785 1 286 288.0 PVB:1287 Type1 Inactive None 11.535 18.727 None -104.78, 148.84 82.89, 6.86 -59.63, 129.59 233.36, 117.66 88.33, -13.85 out-out out 15.42 Saltbr-out 16.972 HRD-in -98.08, -65.66 77.76, -3.17 out-out-out SNCooo out-out ActLoopNT-out 5.598 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, -45.12 APE9-dihe-na -104.52, 124.45 APE8-dihe-in -84.65, 121.84 APE8-rot-in 295.03 APE67-dihe-in -62.34, -23.79 -98.56, -5.23 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 18.737 APE9-dist-out 10.973 V161I None None XRAY 2.0 0.198 0.265 A 288 277 9 0 0 9 [[4, 284]] 1.0 1v0p Plasmodium falciparum CMGC_CRK2_PLAFK CMGC 1.3e-82 284.5 1 301 301 142 143 144 146 148 32 50 54 122 124 123 125 183 170 165 164 163 162 161 160 159 80 Cyclin-dependent kinase 2 homolog
CMGC CRK2 CDK2H_PLAFK 1V0PB Q07785 2 286 288.0 PVB:1287 Type1 Inactive None 11.47 18.792 None -98.78, 149.51 79.38, 8.97 -57.68, 135.1 234.14, 111.35 85.79, -12.47 out-out out 15.186 Saltbr-out 17.47 HRD-in -93.86, -70.26 80.01, -9.99 out-out-none SNCoon out-none ActLoopNT-out 5.67 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -63.62, -23.44 999.0, -9.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 V161I None None XRAY 2.0 0.198 0.265 B 288 258 27 0 0 13 [[4, 284]] 1.0 1v0p Plasmodium falciparum CMGC_CRK2_PLAFK CMGC 1.3e-82 284.5 1 301 301 142 143 144 146 148 32 50 54 122 124 123 125 183 170 165 164 163 162 161 160 159 80 Cyclin-dependent kinase 2 homolog

Ligand: PVB

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
None None 2 100.0% 1V0PA
All chains - renumbered by
Uniprot PDB Alignment

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
CMGC CRK2 CDK2H_PLAFK 1V0PA Q07785 1 286 288.0 PVB:1287 Type1 Inactive None 11.535 18.727 None -104.78, 148.84 82.89, 6.86 -59.63, 129.59 233.36, 117.66 88.33, -13.85 out-out out 15.42 Saltbr-out 16.972 HRD-in -98.08, -65.66 77.76, -3.17 out-out-out SNCooo out-out ActLoopNT-out 5.598 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnoo APE10-dihe-na 999.0, -45.12 APE9-dihe-na -104.52, 124.45 APE8-dihe-in -84.65, 121.84 APE8-rot-in 295.03 APE67-dihe-in -62.34, -23.79 -98.56, -5.23 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 18.737 APE9-dist-out 10.973 V161I None None XRAY 2.0 0.198 0.265 A 288 277 9 0 0 9 [[4, 284]] 1.0 1v0p Plasmodium falciparum CMGC_CRK2_PLAFK CMGC 1.3e-82 284.5 1 301 301 142 143 144 146 148 32 50 54 122 124 123 125 183 170 165 164 163 162 161 160 159 80 Cyclin-dependent kinase 2 homolog
CMGC CRK2 CDK2H_PLAFK 1V0PB Q07785 2 286 288.0 PVB:1287 Type1 Inactive None 11.47 18.792 None -98.78, 149.51 79.38, 8.97 -57.68, 135.1 234.14, 111.35 85.79, -12.47 out-out out 15.186 Saltbr-out 17.47 HRD-in -93.86, -70.26 80.01, -9.99 out-out-none SNCoon out-none ActLoopNT-out 5.67 ActLoopCT-none nonTYR APEdihe_aannn APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 999.0 APE8-rot-none 999.0 APE67-dihe-none -63.62, -23.44 999.0, -9.02 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 V161I None None XRAY 2.0 0.198 0.265 B 288 258 27 0 0 13 [[4, 284]] 1.0 1v0p Plasmodium falciparum CMGC_CRK2_PLAFK CMGC 1.3e-82 284.5 1 301 301 142 143 144 146 148 32 50 54 122 124 123 125 183 170 165 164 163 162 161 160 159 80 Cyclin-dependent kinase 2 homolog