6CKX
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0006357 | biological_process | regulation of transcription by RNA polymerase II |
| B | 0016538 | molecular_function | cyclin-dependent protein serine/threonine kinase regulator activity |
| C | 0004672 | molecular_function | protein kinase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006468 | biological_process | protein phosphorylation |
| D | 0006357 | biological_process | regulation of transcription by RNA polymerase II |
| D | 0016538 | molecular_function | cyclin-dependent protein serine/threonine kinase regulator activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 1101 |
| Chain | Residue |
| A | ASN864 |
| A | ASP877 |
| A | HOH1201 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue 8M1 A 1102 |
| Chain | Residue |
| A | HIS818 |
| A | ASP819 |
| A | LEU866 |
| A | ILE732 |
| A | ILE733 |
| A | GLY734 |
| A | ALA754 |
| A | PHE813 |
| A | MET816 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | binding site for residue MG B 301 |
| Chain | Residue |
| B | GLU158 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue MG C 1101 |
| Chain | Residue |
| C | ASN864 |
| C | ASP877 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue 8M1 C 1102 |
| Chain | Residue |
| C | ILE732 |
| C | ILE733 |
| C | GLY734 |
| C | GLU735 |
| C | PHE813 |
| C | GLU814 |
| C | MET816 |
| C | ASP817 |
| C | ASP819 |
| C | LEU866 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGEGTYGQVYkAkdkdtgel..........VALK |
| Chain | Residue | Details |
| A | ILE733-LYS756 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. FlHrDIKcsNILL |
| Chain | Residue | Details |
| A | PHE855-LEU867 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24662513","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
