Ligand: E7M

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 6P7GB

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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 6P7GA 2.65 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnoo E7M Type2 449 - 720 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 6P7GC 2.65 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno E7M Type2 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 6P7GD 2.65 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnoo E7M Type2 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 6P7GB 2.65 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_iooo E7M, NHE Type2, Allosteric 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf

Ligand: E7M

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 100.0% 6P7GB

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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
TKL BRAF BRAF_HUMAN 6P7GA 2.65 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnoo E7M Type2 449 - 720 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 6P7GC 2.65 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno E7M Type2 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 6P7GD 2.65 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnoo E7M Type2 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 6P7GB 2.65 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_iooo E7M, NHE Type2, Allosteric 449 - 721 0 None I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G Serine/threonine-protein kinase B-raf Homo sapiens

Ligand: E7M

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