Ligand: A1IE7

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9FR8A
DFGin None 1 33.3% 9FT3A

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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 DYRK1A DYR1A_HUMAN 9FT3A 2.7 Inactive DFGin‑None in-in out-out nonTYR APEdihe_aaioi APEdist_iiii A1IE7 Type1 134 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CMGC GSK3B GSK3B_HUMAN 9FR8A 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE7 Type1 25 - 385 0 None None Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 9FR8B 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE7 Type1 36 - 383 0 None None Glycogen synthase kinase-3 beta

Ligand: A1IE7

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9FR8A
DFGin None 1 33.3% 9FT3A

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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 DYRK1A DYR1A_HUMAN 9FT3A 2.7 Inactive DFGin‑None in-in out-out nonTYR APEdihe_aaioi APEdist_iiii A1IE7 Type1 134 - 480 0 PTR321 None Dual specificity tyrosine-phosphorylation-regulated kinase 1A Homo sapiens
CMGC GSK3B GSK3B_HUMAN 9FR8A 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE7 Type1 25 - 385 0 None None Glycogen synthase kinase-3 beta Homo sapiens
CMGC GSK3B GSK3B_HUMAN 9FR8B 2.3 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1IE7 Type1 36 - 383 0 None None Glycogen synthase kinase-3 beta Homo sapiens

Ligand: A1IE7

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