Ligand: 65C (Laduviglusib)

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5HLNB

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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 GSK3B GSK3B_HUMAN 6B8JA 2.595 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 65C Type1 37 - 384 0 PTR216 None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 5HLNA 3.1 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 65C Type1 34 - 384 0 PTR216 None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 5HLNB 3.1 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 65C Type1 37 - 383 0 PTR216 None Glycogen synthase kinase-3 beta

Ligand: 65C (Laduviglusib)

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5HLNB

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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 GSK3B GSK3B_HUMAN 6B8JA 2.595 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 65C Type1 37 - 384 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 5HLNA 3.1 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 65C Type1 34 - 384 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 5HLNB 3.1 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 65C Type1 37 - 383 0 PTR216 None Glycogen synthase kinase-3 beta Homo sapiens

Ligand: 65C (Laduviglusib)

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