Ligand: 5I1

Total number of chains: 4
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7NXJC

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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 CDK12 CDK12_HUMAN 5ACBC 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5I1 Type1 716 - 1040 0 TPO893 None Cyclin-dependent kinase 12
CMGC CDK12 CDK12_HUMAN 5ACBD 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5I1 Type1 718 - 1044 0 TPO893 None Cyclin-dependent kinase 12
CMGC CDK13 CDK13_HUMAN 7NXJA 2.36 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5I1 Type1 695 - 1023 0 TPO871 None Cyclin-dependent kinase 13
CMGC CDK13 CDK13_HUMAN 7NXJC 2.36 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5I1 Type1 695 - 1017 0 TPO871 None Cyclin-dependent kinase 13

Ligand: 5I1

Total number of chains: 4
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7NXJC

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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 CDK12 CDK12_HUMAN 5ACBC 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5I1 Type1 716 - 1040 0 TPO893 None Cyclin-dependent kinase 12 Homo sapiens
CMGC CDK12 CDK12_HUMAN 5ACBD 2.7 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5I1 Type1 718 - 1044 0 TPO893 None Cyclin-dependent kinase 12 Homo sapiens
CMGC CDK13 CDK13_HUMAN 7NXJA 2.36 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii 5I1 Type1 695 - 1023 0 TPO871 None Cyclin-dependent kinase 13 Homo sapiens
CMGC CDK13 CDK13_HUMAN 7NXJC 2.36 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 5I1 Type1 695 - 1017 0 TPO871 None Cyclin-dependent kinase 13 Homo sapiens

Ligand: 5I1

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