4Q9Z
Human Protein Kinase C Theta in Complex with Compound35 ((1R)-9-(AZETIDIN-3-YLAMINO)-1,8-DIMETHYL-3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0004674 | molecular_function | protein serine/threonine kinase activity |
| A | 0004697 | molecular_function | diacylglycerol-dependent serine/threonine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| B | 0004672 | molecular_function | protein kinase activity |
| B | 0004674 | molecular_function | protein serine/threonine kinase activity |
| B | 0004697 | molecular_function | diacylglycerol-dependent serine/threonine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006468 | biological_process | protein phosphorylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PZW A 801 |
| Chain | Residue |
| A | LEU386 |
| A | LEU511 |
| A | ASP522 |
| A | PHE664 |
| A | PHE391 |
| A | VAL394 |
| A | ALA407 |
| A | MET458 |
| A | GLU459 |
| A | LEU461 |
| A | ASP508 |
| A | ASN509 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NA A 802 |
| Chain | Residue |
| A | GLU586 |
| A | ASP594 |
| A | HOH946 |
| A | HOH947 |
| A | HOH948 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PZW B 801 |
| Chain | Residue |
| B | VAL394 |
| B | ALA407 |
| B | MET458 |
| B | GLU459 |
| B | LEU461 |
| B | ASP508 |
| B | ASN509 |
| B | LEU511 |
| B | ASP522 |
| B | PHE659 |
Functional Information from PROSITE/UniProt
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGSFGKVFlAefkktnqf..........FAIK |
| Chain | Residue | Details |
| A | LEU386-LYS409 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvYrDLKldNILL |
| Chain | Residue | Details |
| A | ILE500-LEU512 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 508 |
| Details | Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| 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_FI3 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphothreonine; by PDPK1","evidences":[{"source":"PubMed","id":"11772397","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"15364937","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16252004","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"11772397","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16252004","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2007","submissionDatabase":"PDB data bank","title":"The crystal structure of the kinase domain of the protein kinase C theta in complex with Nvp-Xaa228.","authors":["Stark W.","Bitsch F.","Berner A.","Buelens F.","Graff P.","Depersin H.","Fendrich G.","Geiser M.","Knecht R.","Rahuel J.","Rummel G.","Schlaeppi J.M.","Schmitz R.","Strauss A.","Wagner J."]}},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"11772397","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15364937","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16252004","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"JAN-2007","submissionDatabase":"PDB data bank","title":"The crystal structure of the kinase domain of the protein kinase C theta in complex with Nvp-Xaa228.","authors":["Stark W.","Bitsch F.","Berner A.","Buelens F.","Graff P.","Depersin H.","Fendrich G.","Geiser M.","Knecht R.","Rahuel J.","Rummel G.","Schlaeppi J.M.","Schmitz R.","Strauss A.","Wagner J."]}},{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
