Ligand: SU9

Total number of chains: 6
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 3 50.0% 3PY1A
DFGin BLAminus 2 33.3% 6GUCC
DFGout None 1 16.7% 6YG4A

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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 6GUCA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SU9 Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 6GUCC 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SU9 Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 1PF8A 2.51 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaioi APEdist_oioo SU9 Type1 1 - 298 0 None None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 3PY0A 1.75 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaiii APEdist_oooo SU9 Type1 1 - 298 0 None None Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 3PY1A 2.05 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaoii APEdist_iooo SU9, 2AN, 2AN Type1, Allosteric, Type3 1 - 298 0 None None Cyclin-dependent kinase 2
STE MAP2K7 MP2K7_HUMAN 6YG4A 2.3 Inactive DFGout‑None na-na out-none nonTYR APEdihe_aannn APEdist_nnnn SU9 Type1 103 - 401 0 None None Dual specificity mitogen-activated protein kinase kinase 7

Ligand: SU9

Total number of chains: 6
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 3 50.0% 3PY1A
DFGin BLAminus 2 33.3% 6GUCC
DFGout None 1 16.7% 6YG4A

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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 6GUCA 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SU9 Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 6GUCC 2.0 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii SU9 Type1 1 - 296 0 TPO160 None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 1PF8A 2.51 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaioi APEdist_oioo SU9 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 3PY0A 1.75 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaiii APEdist_oooo SU9 Type1 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
CMGC CDK2 CDK2_HUMAN 3PY1A 2.05 Inactive DFGin‑BLBminus out-out out-out nonTYR APEdihe_aaoii APEdist_iooo SU9, 2AN, 2AN Type1, Allosteric, Type3 1 - 298 0 None None Cyclin-dependent kinase 2 Homo sapiens
STE MAP2K7 MP2K7_HUMAN 6YG4A 2.3 Inactive DFGout‑None na-na out-none nonTYR APEdihe_aannn APEdist_nnnn SU9 Type1 103 - 401 0 None None Dual specificity mitogen-activated protein kinase kinase 7 Homo sapiens

Ligand: SU9

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