Ligand: WJ9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 8QQGC
DFGout None 1 33.3% 8QQGA

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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 8QQGB 2.979 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaiii APEdist_nioo WJ9 Type2 448 - 721 0 None None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 8QQGC 2.979 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_oooo WJ9 Type2 448 - 721 0 None None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 8QQGA 2.979 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaiii APEdist_nnno WJ9 Type2 449 - 722 0 None None Serine/threonine-protein kinase B-raf

Ligand: WJ9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 8QQGC
DFGout None 1 33.3% 8QQGA

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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 8QQGB 2.979 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaiii APEdist_nioo WJ9 Type2 448 - 721 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 8QQGC 2.979 Inactive DFGout‑BBAminus in-in out-out nonTYR APEdihe_aaioi APEdist_oooo WJ9 Type2 448 - 721 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 8QQGA 2.979 Inactive DFGout‑None in-in out-out nonTYR APEdihe_aaiii APEdist_nnno WJ9 Type2 449 - 722 0 None None Serine/threonine-protein kinase B-raf Homo sapiens

Ligand: WJ9

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