Ligand: 032 (Vemurafenib)

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 5 100.0% 4RZVB
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
TKL BRAF BRAF_HUMAN 4RZVA 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_nioo 032 Type1.5_Back 449 - 721 0 None R509H,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 4RZVB 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_iioo 032 Type1.5_Back 449 - 722 0 None R509H,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 3OG7A 2.45 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 032 Type1.5_Back 449 - 720 0 None K522A,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf
TKL MAP3K20 M3K20_HUMAN 5HESB 2.14 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaoii APEdist_nnno 032 Type1 7 - 298 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20
TKL MAP3K20 M3K20_HUMAN 5HESA 2.14 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaooi APEdist_nnno 032 Type1.5_Back 6 - 299 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20

Ligand: 032 (Vemurafenib)

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 5 100.0% 4RZVB
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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
TKL BRAF BRAF_HUMAN 4RZVA 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_nioo 032 Type1.5_Back 449 - 721 0 None R509H,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 4RZVB 2.994 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaiii APEdist_iioo 032 Type1.5_Back 449 - 722 0 None R509H,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 3OG7A 2.45 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 032 Type1.5_Back 449 - 720 0 None K522A,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf Homo sapiens
TKL MAP3K20 M3K20_HUMAN 5HESB 2.14 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaoii APEdist_nnno 032 Type1 7 - 298 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20 Homo sapiens
TKL MAP3K20 M3K20_HUMAN 5HESA 2.14 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaooi APEdist_nnno 032 Type1.5_Back 6 - 299 0 TPO161 None Mitogen-activated protein kinase kinase kinase 20 Homo sapiens

Ligand: 032 (Vemurafenib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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