Ligand: BAX (Sorafenib)

Total number of chains: 10
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 10 100.0% 3WZEA

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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
CMGC CDK8 CDK8_HUMAN 3RGFA 2.2 Inactive DFGout‑BBAminus in-out out-out nonTYR APEdihe_aaioi APEdist_nnno BAX Type2 1 - 353 0 None None Cyclin-dependent kinase 8
CMGC MAPK14 MK14_HUMAN 3GCSA 2.1 Inactive DFGout‑BBAminus in-out none-none nonTYR APEdihe_aanii APEdist_nnnn BAX Type2 5 - 352 0 None C119S,C162S,A172C,F327L Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3HEGA 2.2 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno BAX Type2 5 - 352 0 None None Mitogen-activated protein kinase 14
TKL BRAF BRAF_HUMAN 5HI2A 2.512 Inactive DFGout‑BBAminus in-in none-none nonTYR APEdihe_aanii APEdist_nnnn BAX Type2 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWJA 3.5 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nnno BAX Type2 448 - 723 0 None V600E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWJB 3.5 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nnno BAX Type2 448 - 723 0 None V600E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWHA 2.95 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nioo BAX Type2 448 - 723 0 None None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWHB 2.95 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nioo BAX Type2 448 - 723 0 None None Serine/threonine-protein kinase B-raf
TYR KDR VGFR2_HUMAN 3WZEA 1.9 Inactive DFGout‑BBAminus in-in out-out TYR APEdihe_iiiai APEdist_aaao BAX Type2 815 - 1167 0 None T940V Vascular endothelial growth factor receptor 2
TYR KDR VGFR2_HUMAN 4ASDA 2.03 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai BAX Type2 807 - 1168 0 None E990V Vascular endothelial growth factor receptor 2

Ligand: BAX (Sorafenib)

Total number of chains: 10
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 10 100.0% 3WZEA

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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
CMGC CDK8 CDK8_HUMAN 3RGFA 2.2 Inactive DFGout‑BBAminus in-out out-out nonTYR APEdihe_aaioi APEdist_nnno BAX Type2 1 - 353 0 None None Cyclin-dependent kinase 8 Homo sapiens
CMGC MAPK14 MK14_HUMAN 3GCSA 2.1 Inactive DFGout‑BBAminus in-out none-none nonTYR APEdihe_aanii APEdist_nnnn BAX Type2 5 - 352 0 None C119S,C162S,A172C,F327L Mitogen-activated protein kinase 14 Homo sapiens
CMGC MAPK14 MK14_HUMAN 3HEGA 2.2 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno BAX Type2 5 - 352 0 None None Mitogen-activated protein kinase 14 Homo sapiens
TKL BRAF BRAF_HUMAN 5HI2A 2.512 Inactive DFGout‑BBAminus in-in none-none nonTYR APEdihe_aanii APEdist_nnnn BAX Type2 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 1UWJA 3.5 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nnno BAX Type2 448 - 723 0 None V600E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 1UWJB 3.5 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nnno BAX Type2 448 - 723 0 None V600E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 1UWHA 2.95 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nioo BAX Type2 448 - 723 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 1UWHB 2.95 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nioo BAX Type2 448 - 723 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TYR KDR VGFR2_HUMAN 3WZEA 1.9 Inactive DFGout‑BBAminus in-in out-out TYR APEdihe_iiiai APEdist_aaao BAX Type2 815 - 1167 0 None T940V Vascular endothelial growth factor receptor 2 Homo sapiens
TYR KDR VGFR2_HUMAN 4ASDA 2.03 Inactive DFGout‑BBAminus in-in out-in TYR APEdihe_iiiai APEdist_aaai BAX Type2 807 - 1168 0 None E990V Vascular endothelial growth factor receptor 2 Homo sapiens

Ligand: BAX (Sorafenib)

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

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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