Ligand: 54J

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 100.0% 5CSXA

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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 5CSXA 2.51 Inactive DFGout‑BBAminus out-out out-out nonTYR APEdihe_aaoii APEdist_nnoo 54J Type1.5_Back 448 - 720 0 None R443P,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf

Ligand: 54J

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 100.0% 5CSXA

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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 5CSXA 2.51 Inactive DFGout‑BBAminus out-out out-out nonTYR APEdihe_aaoii APEdist_nnoo 54J Type1.5_Back 448 - 720 0 None R443P,I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf Homo sapiens

Ligand: 54J

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