Ligand: QH1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 6UUOB
DFGin None 1 50.0% 6UUOA

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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 6UUOB 3.288 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaooi APEdist_nnno QH1 Type1.5_Back 448 - 721 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 6UUOA 3.288 Inactive DFGin‑None out-none none-out nonTYR APEdihe_aaoii APEdist_nnno QH1 Type1 450 - 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

Ligand: QH1

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 6UUOB
DFGin None 1 50.0% 6UUOA

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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 6UUOB 3.288 Inactive DFGin‑BLAplus out-out none-out nonTYR APEdihe_aaooi APEdist_nnno QH1 Type1.5_Back 448 - 721 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 6UUOA 3.288 Inactive DFGin‑None out-none none-out nonTYR APEdihe_aaoii APEdist_nnno QH1 Type1 450 - 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

Ligand: QH1

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