Ligand: AQZ

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 2BAKA
DFGin BLAminus 1 33.3% 9BJCA

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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 9BJCA 2.22 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1AQZ Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC MAPK14 MK14_HUMAN 2BAKA 2.2 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno AQZ Type2 5 - 353 0 None None Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 4A9YA 2.2 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno AQZ Type2 5 - 353 0 None None Mitogen-activated protein kinase 14

Ligand: AQZ

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 2BAKA
DFGin BLAminus 1 33.3% 9BJCA

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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 9BJCA 2.22 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii A1AQZ Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC MAPK14 MK14_HUMAN 2BAKA 2.2 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno AQZ Type2 5 - 353 0 None None Mitogen-activated protein kinase 14 Homo sapiens
CMGC MAPK14 MK14_HUMAN 4A9YA 2.2 Inactive DFGout‑BBAminus in-in none-out nonTYR APEdihe_aaoii APEdist_nnno AQZ Type2 5 - 353 0 None None Mitogen-activated protein kinase 14 Homo sapiens

Ligand: AQZ

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