Ligand: IT4

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% 9ESQA

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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 CDK2 CDK2_HUMAN 9ESQC 2.38 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii IT4, IT4, IT4 Allosteric, Type1, Allosteric 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 9ESQA 2.38 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii IT4, IT4, IT4, IT4 Type1, Allosteric, Allosteric, Allosteric 1 - 296 0 TPO160 None Cyclin-dependent kinase 2

Ligand: IT4

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% 9ESQA

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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 CDK2 CDK2_HUMAN 9ESQC 2.38 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii IT4, IT4, IT4 Allosteric, Type1, Allosteric 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 9ESQA 2.38 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii IT4, IT4, IT4, IT4 Type1, Allosteric, Allosteric, Allosteric 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens

Ligand: IT4

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_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