Ligand: SM5

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 3D4QA
DFGin None 1 25.0% 3OMVA

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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 3D4QA 2.8 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoio APEdist_nooo SM5 Type1 448 - 723 0 None None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 3D4QB 2.8 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoio APEdist_nooo SM5 Type1 448 - 723 0 None None Serine/threonine-protein kinase B-raf
TKL RAF1 RAF1_HUMAN 3OMVB 4.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioo APEdist_nooo SM5 Type1 340 - 615 0 None None RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 3OMVA 4.0 Inactive DFGin‑None in-in in-out nonTYR APEdihe_aaioi APEdist_nioo SM5 Type1 340 - 615 0 None None RAF proto-oncogene serine/threonine-protein kinase

Ligand: SM5

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 3D4QA
DFGin None 1 25.0% 3OMVA

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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 3D4QA 2.8 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoio APEdist_nooo SM5 Type1 448 - 723 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 3D4QB 2.8 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoio APEdist_nooo SM5 Type1 448 - 723 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL RAF1 RAF1_HUMAN 3OMVB 4.0 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioo APEdist_nooo SM5 Type1 340 - 615 0 None None RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 3OMVA 4.0 Inactive DFGin‑None in-in in-out nonTYR APEdihe_aaioi APEdist_nioo SM5 Type1 340 - 615 0 None None RAF proto-oncogene serine/threonine-protein kinase Homo sapiens

Ligand: SM5

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