Ligand: W9D

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 7KACB
DFGin None 1 50.0% 7KACA

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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
STE MAP4K1 M4K1_HUMAN 7KACB 1.85 Inactive DFGin‑BLAminus in-out out-out nonTYR APEdihe_aaioi APEdist_oooo W9D Type1 7 - 294 0 None L221D,F225E Mitogen-activated protein kinase kinase kinase kinase 1
STE MAP4K1 M4K1_HUMAN 7KACA 1.85 Inactive DFGin‑None out-out none-out nonTYR APEdihe_aaioi APEdist_nnno W9D Type1 7 - 304 0 None L221D,F225E Mitogen-activated protein kinase kinase kinase kinase 1

Ligand: W9D

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 7KACB
DFGin None 1 50.0% 7KACA

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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
STE MAP4K1 M4K1_HUMAN 7KACB 1.85 Inactive DFGin‑BLAminus in-out out-out nonTYR APEdihe_aaioi APEdist_oooo W9D Type1 7 - 294 0 None L221D,F225E Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens
STE MAP4K1 M4K1_HUMAN 7KACA 1.85 Inactive DFGin‑None out-out none-out nonTYR APEdihe_aaioi APEdist_nnno W9D Type1 7 - 304 0 None L221D,F225E Mitogen-activated protein kinase kinase kinase kinase 1 Homo sapiens

Ligand: W9D

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