Ligand: HHQ

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9ET6A
None None 1 33.3% 6Q48A

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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 CDK2 CDK2_HUMAN 9ET6A 2.553 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii HHQ, HHQ, HHQ, HHQ, HHQ Allosteric, Type1, Type1, Allosteric, Allosteric 1 - 298 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 9ET6C 2.553 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii HHQ, HHQ, HHQ Type1, Allosteric, Allosteric 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 6Q48A 1.03 Inactive None‑None out-out out-out nonTYR APEdihe_aaiii APEdist_nooo HHQ Type1 1 - 296 0 None None Cyclin-dependent kinase 2

Ligand: HHQ

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 66.7% 9ET6A
None None 1 33.3% 6Q48A

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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 CDK2 CDK2_HUMAN 9ET6A 2.553 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii HHQ, HHQ, HHQ, HHQ, HHQ Allosteric, Type1, Type1, Allosteric, Allosteric 1 - 298 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 9ET6C 2.553 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii HHQ, HHQ, HHQ Type1, Allosteric, Allosteric 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 6Q48A 1.03 Inactive None‑None out-out out-out nonTYR APEdihe_aaiii APEdist_nooo HHQ Type1 1 - 296 0 None None Cyclin-dependent kinase 2 Homo sapiens

Ligand: HHQ

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