4NST
Crystal structure of human Cdk12/Cyclin K in complex with ADP-aluminum fluoride
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 | 23 |
| Details | BINDING SITE FOR RESIDUE ADP A 1101 |
| Chain | Residue |
| A | ILE733 |
| A | ASP819 |
| A | SER863 |
| A | ASN864 |
| A | ASP877 |
| A | HIS1040 |
| A | GLU1041 |
| A | AF31102 |
| A | MG1103 |
| A | MG1104 |
| A | HOH1202 |
| A | GLU735 |
| A | HOH1206 |
| A | HOH1216 |
| A | HOH1262 |
| A | HOH1263 |
| A | GLY736 |
| A | THR737 |
| A | ALA754 |
| A | LYS756 |
| A | PHE813 |
| A | GLU814 |
| A | MET816 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE AF3 A 1102 |
| Chain | Residue |
| A | ASP859 |
| A | LYS861 |
| A | ASN864 |
| A | ASP877 |
| A | ADP1101 |
| A | MG1103 |
| A | MG1104 |
| A | HOH1263 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 1103 |
| Chain | Residue |
| A | ASN864 |
| A | ASP877 |
| A | ADP1101 |
| A | AF31102 |
| A | MG1104 |
| A | HOH1263 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG A 1104 |
| Chain | Residue |
| A | ASP877 |
| A | ADP1101 |
| A | AF31102 |
| A | MG1103 |
| A | HOH1201 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG A 1105 |
| Chain | Residue |
| A | HIS999 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1106 |
| Chain | Residue |
| A | MET821 |
| A | LYS861 |
| A | CYS862 |
| A | SER863 |
| A | TYR901 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 301 |
| Chain | Residue |
| B | CYS23 |
| B | TYR25 |
| B | TRP26 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE ADP C 1101 |
| Chain | Residue |
| C | ILE733 |
| C | GLU735 |
| C | GLY736 |
| C | THR737 |
| C | VAL741 |
| C | ALA754 |
| C | LYS756 |
| C | PHE813 |
| C | GLU814 |
| C | MET816 |
| C | ASP819 |
| C | SER863 |
| C | ASN864 |
| C | ASP877 |
| C | HIS1040 |
| C | AF31102 |
| C | MG1103 |
| C | MG1104 |
| C | HOH1203 |
| C | HOH1219 |
| C | HOH1244 |
| C | HOH1254 |
| C | HOH1268 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE AF3 C 1102 |
| Chain | Residue |
| C | ASP859 |
| C | LYS861 |
| C | ASN864 |
| C | ASP877 |
| C | ADP1101 |
| C | MG1103 |
| C | MG1104 |
| C | HOH1258 |
| C | HOH1259 |
| C | HOH1268 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MG C 1103 |
| Chain | Residue |
| C | ASN864 |
| C | ASP877 |
| C | ADP1101 |
| C | AF31102 |
| C | HOH1268 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG C 1104 |
| Chain | Residue |
| C | ASP877 |
| C | ADP1101 |
| C | AF31102 |
| C | HOH1259 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO C 1105 |
| Chain | Residue |
| C | LYS776 |
| C | ARG779 |
| C | GLN780 |
| D | ASP154 |
| D | LEU155 |
| D | GLN156 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG D 301 |
| Chain | Residue |
| D | GLN37 |
| D | LEU41 |
| site_id | BC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG D 302 |
| Chain | Residue |
| D | GLU204 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO D 303 |
| Chain | Residue |
| B | GLU39 |
| B | LYS88 |
| B | GLN89 |
| B | HOH477 |
| D | HIS85 |
| D | PHE90 |
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 | 30 |
| 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 |
