Ligand: A1CIF

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9PE9A
DFGin BLBplus 1 33.3% 9PE7A

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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
CMGC CDK6 CDK6_HUMAN 9PE7A 2.05 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaiii APEdist_nnoo A1CIF Type1 10 - 301 0 None E21V,K26T,T106R,Q149E Cyclin-dependent kinase 6
CMGC GSK3B GSK3B_HUMAN 9PE9A 2.11 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii A1CIF Type1 36 - 382 0 PTR216 None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 9PE9B 2.11 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii A1CIF Type1 36 - 382 0 PTR216 None Glycogen synthase kinase-3 beta

Ligand: A1CIF

Total number of chains: 3
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9PE9A
DFGin BLBplus 1 33.3% 9PE7A

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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
CMGC CDK6 CDK6_HUMAN 9PE7A 2.05 Inactive DFGin‑BLBplus out-out none-out nonTYR APEdihe_aaiii APEdist_nnoo A1CIF Type1 10 - 301 0 None E21V,K26T,T106R,Q149E Cyclin-dependent kinase 6 Homo sapiens
CMGC GSK3B GSK3B_HUMAN 9PE9A 2.11 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii A1CIF Type1 36 - 382 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 9PE9B 2.11 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii A1CIF Type1 36 - 382 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens

Ligand: A1CIF

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