Ligand: RQU

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BURE
DFGin BLAminus 1 33.3% 8BURB
DFGin None 1 33.3% 8BURH

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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 8BURE 3.64 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RQU Type1 715 - 1040 0 TPO893 K965R Cyclin-dependent kinase 12
CMGC CDK12 CDK12_HUMAN 8BURB 3.64 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RQU Type1 715 - 1044 0 TPO893 K965R Cyclin-dependent kinase 12
CMGC CDK12 CDK12_HUMAN 8BURH 3.64 Inactive DFGin‑None in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RQU Type1 715 - 1039 0 TPO893 K965R Cyclin-dependent kinase 12

Ligand: RQU

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 33.3% 8BURE
DFGin BLAminus 1 33.3% 8BURB
DFGin None 1 33.3% 8BURH

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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 8BURE 3.64 Inactive DFGin‑ABAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RQU Type1 715 - 1040 0 TPO893 K965R Cyclin-dependent kinase 12 Homo sapiens
CMGC CDK12 CDK12_HUMAN 8BURB 3.64 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RQU Type1 715 - 1044 0 TPO893 K965R Cyclin-dependent kinase 12 Homo sapiens
CMGC CDK12 CDK12_HUMAN 8BURH 3.64 Inactive DFGin‑None in-in in-out nonTYR APEdihe_aaioi APEdist_iiii RQU Type1 715 - 1039 0 TPO893 K965R Cyclin-dependent kinase 12 Homo sapiens

Ligand: RQU

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