Ligand: B1E

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 66.7% 5HIDB
DFGout None 2 33.3% 4RZWA

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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 4G9RB 3.2 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaiii APEdist_nnno B1E Type1 448 - 721 0 None V600E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 5HIDA 2.5 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_iioo B1E Type2 449 - 722 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 5HIDB 2.5 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_iioo B1E Type2 449 - 722 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 4G9RA 3.2 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nnno B1E Type2 448 - 721 0 None V600E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 4RZWA 3.493 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaiii APEdist_nnno B1E Type1 448 - 720 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 4RZWB 3.493 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaiii APEdist_nnno B1E Type2 448 - 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

Ligand: B1E

Total number of chains: 6
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 4 66.7% 5HIDB
DFGout None 2 33.3% 4RZWA

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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 4G9RB 3.2 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaiii APEdist_nnno B1E Type1 448 - 721 0 None V600E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 5HIDA 2.5 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_iioo B1E Type2 449 - 722 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 5HIDB 2.5 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaoii APEdist_iioo B1E Type2 449 - 722 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 4G9RA 3.2 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_nnno B1E Type2 448 - 721 0 None V600E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 4RZWA 3.493 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaiii APEdist_nnno B1E Type1 448 - 720 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 4RZWB 3.493 Inactive DFGout‑None in-in none-out nonTYR APEdihe_aaiii APEdist_nnno B1E Type2 448 - 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

Ligand: B1E

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