Ligand: PG6

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 9X2VA
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
CMGC GSK3B GSK3B_HUMAN 9X2VA 1.39 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoii APEdist_iiii PG6 Allosteric 35 - 383 0 None None Glycogen synthase kinase-3 beta

Ligand: PG6

Total number of chains: 3
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 7RJ8A
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
CMGC GSK3B GSK3B_HUMAN 9X2VA 1.39 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaoii APEdist_iiii PG6 Allosteric 35 - 383 0 None None Glycogen synthase kinase-3 beta Homo sapiens
OTHER AAK1 AAK1_MOUSE 7RJ8A 2.59 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5QI, PG6 Type1, Allosteric 33 - 329 0 None None AP2-associated protein kinase 1 Mus musculus
OTHER AAK1 AAK1_MOUSE 7RJ8B 2.59 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii YFV, PG6 Type1, Allosteric 26 - 330 0 None None AP2-associated protein kinase 1 Mus musculus

Ligand: PG6

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7RJ8A
All chains - renumbered by
Uniprot PDB Alignment
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Family Gene UniprotID PDB Resolution Activity_label Spatial_Dihedral_labels ChelixSaltbr_label ActLoopNT-ActLoopCT APEtype APEdihe_label APEdist_label Ligand Ligand_type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
OTHER AAK1 AAK1_MOUSE 7RJ8A 2.59 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5QI, PG6 Type1, Allosteric 33 - 329 0 None None AP2-associated protein kinase 1 Mus musculus
OTHER AAK1 AAK1_MOUSE 7RJ8B 2.59 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii YFV, PG6 Type1, Allosteric 26 - 330 0 None None AP2-associated protein kinase 1 Mus musculus