Ligand: B49 (Sunitinib)

Total number of chains: 21
Active chains: 3
Total number of genes: 9
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 8 38.1% 4QMZA
DFGout BBAminus 5 23.8% 8S14A
DFGin ABAminus 2 9.5% 6NFYB
DFGin None 2 9.5% 6NG0A
DFGout None 2 9.5% 3G0EA
DFGin BLAplus 1 4.8% 3MIYB
DFGin BLBminus 1 4.8% 3TI1A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CAMK PHKG2 PHKG2_HUMAN 2Y7JA 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK PHKG2 PHKG2_HUMAN 2Y7JB 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK PHKG2 PHKG2_HUMAN 2Y7JC 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CAMK PHKG2 PHKG2_HUMAN 2Y7JD 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CMGC CDK2 CDK2_HUMAN 3TI1A 1.99 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaiii APEdist_oooo B49 Type1 1 - 298 0 None None Cyclin-dependent kinase 2
STE MAP4K1 M4K1_HUMAN 6NFYA 2.17 Inactive DFGin‑ABAminus out-out out-out nonTYR APEdihe_aaiii APEdist_iioi B49 Type1 10 - 292 0 None None Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 6NFYB 2.17 Inactive DFGin‑ABAminus out-out out-out nonTYR APEdihe_aaiii APEdist_oioi B49 Type1 10 - 292 0 None None Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 6NFZA 2.966 None DFGin‑BLAminus in-none in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 7 - 292 0 TPO165,SEP171 None Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 6NFZB 2.966 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 5 - 292 0 TPO165,SEP171 None Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 6NG0A 2.05 Inactive DFGin‑None out-out out-out nonTYR APEdihe_aaiii APEdist_oooo B49 Type1 6 - 302 0 None T165E,S171E Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 6NG0B 2.05 Inactive DFGout‑BBAminus out-out out-out nonTYR APEdihe_aaioi APEdist_oooo B49 Type1 7 - 293 0 None T165E,S171E Mitogen-activated protein kinase kinase kinase kinase 1
STE PAK6 PAK6_HUMAN 4KS8A 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 385 - 671 0 SEP560 None Serine/threonine-protein kinase PAK 6
STE STK24 STK24_HUMAN 4QMZA 1.88 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 25 - 311 0 TPO190 None Serine/threonine-protein kinase 24
TYR ITK ITK_HUMAN 3MIYB 1.67 Inactive DFGin‑BLAplus in-out none-none TYR APEdihe_nnnai APEdist_aaan B49 Type1 357 - 619 0 None C477S,E614A,E617A Tyrosine-protein kinase ITK/TSK
TYR ITK ITK_HUMAN 3MIYA 1.67 Inactive DFGin‑None in-out none-none TYR APEdihe_nnnai APEdist_aaan B49 Type1 357 - 619 0 None C477S,E614A,E617A Tyrosine-protein kinase ITK/TSK
TYR KDR VGFR2_HUMAN 4AGDA 2.81 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 802 - 1169 0 None E990V Vascular endothelial growth factor receptor 2
TYR KIT KIT_HUMAN 8S14A 1.5 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 554 - 931 0 None I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 3G0FA 2.6 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 566 - 930 0 None D816H Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 3G0FB 2.6 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 564 - 930 0 None D816H Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 3G0EA 1.6 Inactive DFGout‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 544 - 931 0 None None Mast/stem cell growth factor receptor Kit
TYR PDGFRA PGFRA_HUMAN 6JOKA 3.8 Inactive DFGout‑None in-out out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 556 - 973 0 None None Platelet-derived growth factor receptor alpha

Ligand: B49 (Sunitinib)

Total number of chains: 23
Active chains: 5
Total number of genes: 10
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 10 43.5% 4QMZA
DFGout BBAminus 5 21.7% 8S14A
DFGin ABAminus 2 8.7% 6NFYB
DFGin None 2 8.7% 6NG0A
DFGout None 2 8.7% 3G0EA
DFGin BLAplus 1 4.3% 3MIYB
DFGin BLBminus 1 4.3% 3TI1A
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CAMK PHKG2 PHKG2_HUMAN 2Y7JA 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform Homo sapiens
CAMK PHKG2 PHKG2_HUMAN 2Y7JB 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform Homo sapiens
CAMK PHKG2 PHKG2_HUMAN 2Y7JC 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform Homo sapiens
CAMK PHKG2 PHKG2_HUMAN 2Y7JD 2.5 Inactive DFGin‑BLAminus out-out in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 10 - 293 0 None None Phosphorylase b kinase gamma catalytic chain, liver/testis isoform Homo sapiens
CMGC CDK2 CDK2_HUMAN 3TI1A 1.99 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaiii APEdist_oooo B49 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
STE MAP4K1 M4K1_HUMAN 6NFYA 2.17 Inactive DFGin‑ABAminus out-out out-out nonTYR APEdihe_aaiii APEdist_iioi B49 Type1 10 - 292 0 None None Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE MAP4K1 M4K1_HUMAN 6NFYB 2.17 Inactive DFGin‑ABAminus out-out out-out nonTYR APEdihe_aaiii APEdist_oioi B49 Type1 10 - 292 0 None None Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE MAP4K1 M4K1_HUMAN 6NFZA 2.966 None DFGin‑BLAminus in-none in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 7 - 292 0 TPO165,SEP171 None Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE MAP4K1 M4K1_HUMAN 6NFZB 2.966 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 5 - 292 0 TPO165,SEP171 None Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE MAP4K1 M4K1_HUMAN 6NG0A 2.05 Inactive DFGin‑None out-out out-out nonTYR APEdihe_aaiii APEdist_oooo B49 Type1 6 - 302 0 None T165E,S171E Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE MAP4K1 M4K1_HUMAN 6NG0B 2.05 Inactive DFGout‑BBAminus out-out out-out nonTYR APEdihe_aaioi APEdist_oooo B49 Type1 7 - 293 0 None T165E,S171E Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE PAK6 PAK6_HUMAN 4KS8A 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 385 - 671 0 SEP560 None Serine/threonine-protein kinase PAK 6 Homo sapiens
STE STK24 STK24_HUMAN 4QMZA 1.88 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii B49 Type1 25 - 311 0 TPO190 None Serine/threonine-protein kinase 24 Homo sapiens
TYR ITK ITK_HUMAN 3MIYB 1.67 Inactive DFGin‑BLAplus in-out none-none TYR APEdihe_nnnai APEdist_aaan B49 Type1 357 - 619 0 None C477S,E614A,E617A Tyrosine-protein kinase ITK/TSK Homo sapiens
TYR ITK ITK_HUMAN 3MIYA 1.67 Inactive DFGin‑None in-out none-none TYR APEdihe_nnnai APEdist_aaan B49 Type1 357 - 619 0 None C477S,E614A,E617A Tyrosine-protein kinase ITK/TSK Homo sapiens
TYR KDR VGFR2_HUMAN 4AGDA 2.81 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 802 - 1169 0 None E990V Vascular endothelial growth factor receptor 2 Homo sapiens
TYR KIT KIT_HUMAN 8S14A 1.5 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 554 - 931 0 None I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D Mast/stem cell growth factor receptor Kit Homo sapiens
TYR KIT KIT_HUMAN 3G0FA 2.6 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 566 - 930 0 None D816H Mast/stem cell growth factor receptor Kit Homo sapiens
TYR KIT KIT_HUMAN 3G0FB 2.6 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 564 - 930 0 None D816H Mast/stem cell growth factor receptor Kit Homo sapiens
TYR KIT KIT_HUMAN 3G0EA 1.6 Inactive DFGout‑None in-in out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 544 - 931 0 None None Mast/stem cell growth factor receptor Kit Homo sapiens
TYR PDGFRA PGFRA_HUMAN 6JOKA 3.8 Inactive DFGout‑None in-out out-in TYR APEdihe_iiiai APEdist_aaai B49 Type1 556 - 973 0 None None Platelet-derived growth factor receptor alpha Homo sapiens
OTHER RNASEL A5H025_PIG 6M11A 2.46 Active DFGin‑BLAminus in-in in-na noAPE APEdihe_aaaaa APEdist_aaaa 25A, B49 Allosteric, Type1 22 - 727 0 None None Ribonuclease L Sus scrofa
OTHER RNASEL A5H025_PIG 6M11B 2.46 Active DFGin‑BLAminus in-in in-na noAPE APEdihe_aaaaa APEdist_aaaa 25A, B49 Allosteric, Type1 23 - 727 0 None None Ribonuclease L Sus scrofa

Ligand: B49 (Sunitinib)

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6M11b
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
OTHER RNASEL A5H025_PIG 6M11A 2.46 Active DFGin‑BLAminus in-in in-na noAPE APEdihe_aaaaa APEdist_aaaa 25A, B49 Allosteric, Type1 22 - 727 0 None None Ribonuclease L Sus scrofa
OTHER RNASEL A5H025_PIG 6M11B 2.46 Active DFGin‑BLAminus in-in in-na noAPE APEdihe_aaaaa APEdist_aaaa 25A, B49 Allosteric, Type1 23 - 727 0 None None Ribonuclease L Sus scrofa