Ligand: 324

Total number of chains: 12
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 4 33.3% 4WO5A
DFGin BLBplus 3 25.0% 9O0UA
DFGin BLAminus 2 16.7% 9O0UG
DFGin BLBminus 2 16.7% 9O0UC
DFGout None 1 8.3% 3C4CB

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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 4WO5A 2.83 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaooo APEdist_iooo 324 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 4WO5B 2.83 Inactive DFGin‑BLAplus out-none out-out nonTYR APEdihe_aaiii APEdist_nnno 324 Type1.5_Back 450 - 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 3C4CA 2.57 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 324 Type1.5_Back 448 - 721 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 3C4CB 2.57 Inactive DFGout‑None in-out none-out nonTYR APEdihe_aaiii APEdist_nnno 324 Type1.5_Back 448 - 721 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf
TKL RAF1 RAF1_HUMAN 9O0UG 2.91 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 324 Type1 341 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0VG 3.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 324 Type1 341 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0UE 2.91 Inactive DFGin‑BLAplus out-none none-out nonTYR APEdihe_aaioi APEdist_nnno 324 Type1.5_Back 339 - 613 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0VE 3.5 Inactive DFGin‑BLAplus out-none none-out nonTYR APEdihe_aaioi APEdist_iioo 324 Type1.5_Back 339 - 613 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0UC 2.91 Inactive DFGin‑BLBminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnoo 324 Type1 339 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0VC 3.5 Inactive DFGin‑BLBminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnoo 324 Type1 339 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0UA 2.91 Inactive DFGin‑BLBplus out-none out-out nonTYR APEdihe_aaioi APEdist_oooo 324 Type1.5_Back 339 - 612 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 9O0VA 3.5 Inactive DFGin‑BLBplus out-none out-out nonTYR APEdihe_aaioi APEdist_oioo 324 Type1.5_Back 339 - 612 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase

Ligand: 324

Total number of chains: 12
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 4 33.3% 4WO5A
DFGin BLBplus 3 25.0% 9O0UA
DFGin BLAminus 2 16.7% 9O0UG
DFGin BLBminus 2 16.7% 9O0UC
DFGout None 1 8.3% 3C4CB

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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 4WO5A 2.83 Inactive DFGin‑BLAplus out-out out-out nonTYR APEdihe_aaooo APEdist_iooo 324 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 4WO5B 2.83 Inactive DFGin‑BLAplus out-none out-out nonTYR APEdihe_aaiii APEdist_nnno 324 Type1.5_Back 450 - 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 3C4CA 2.57 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaioi APEdist_nnno 324 Type1.5_Back 448 - 721 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 3C4CB 2.57 Inactive DFGout‑None in-out none-out nonTYR APEdihe_aaiii APEdist_nnno 324 Type1.5_Back 448 - 721 0 None I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E Serine/threonine-protein kinase B-raf Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0UG 2.91 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 324 Type1 341 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0VG 3.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 324 Type1 341 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0UE 2.91 Inactive DFGin‑BLAplus out-none none-out nonTYR APEdihe_aaioi APEdist_nnno 324 Type1.5_Back 339 - 613 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0VE 3.5 Inactive DFGin‑BLAplus out-none none-out nonTYR APEdihe_aaioi APEdist_iioo 324 Type1.5_Back 339 - 613 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0UC 2.91 Inactive DFGin‑BLBminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnoo 324 Type1 339 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0VC 3.5 Inactive DFGin‑BLBminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnoo 324 Type1 339 - 614 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0UA 2.91 Inactive DFGin‑BLBplus out-none out-out nonTYR APEdihe_aaioi APEdist_oooo 324 Type1.5_Back 339 - 612 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 9O0VA 3.5 Inactive DFGin‑BLBplus out-none out-out nonTYR APEdihe_aaioi APEdist_oioo 324 Type1.5_Back 339 - 612 0 None Y340D,Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens

Ligand: 324

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