6PGP
Crystal structure of human KRAS G12C covalently bound to a quinazolinone inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003924 | molecular_function | GTPase activity |
| A | 0005525 | molecular_function | GTP binding |
| A | 0007165 | biological_process | signal transduction |
| A | 0016020 | cellular_component | membrane |
| B | 0003924 | molecular_function | GTPase activity |
| B | 0005525 | molecular_function | GTP binding |
| B | 0007165 | biological_process | signal transduction |
| B | 0016020 | cellular_component | membrane |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | binding site for residue GDP A 501 |
| Chain | Residue |
| A | GLY13 |
| A | ASN116 |
| A | LYS117 |
| A | ASP119 |
| A | LEU120 |
| A | SER145 |
| A | ALA146 |
| A | LYS147 |
| A | CA502 |
| A | HOH615 |
| A | HOH623 |
| A | VAL14 |
| A | HOH634 |
| A | HOH640 |
| A | HOH642 |
| A | HOH707 |
| A | HOH718 |
| A | HOH720 |
| A | GLY15 |
| A | LYS16 |
| A | SER17 |
| A | ALA18 |
| A | PHE28 |
| A | VAL29 |
| A | ASP30 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 502 |
| Chain | Residue |
| A | SER17 |
| A | GDP501 |
| A | HOH608 |
| A | HOH615 |
| A | HOH641 |
| A | HOH642 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 503 |
| Chain | Residue |
| A | GLU63 |
| A | GLY138 |
| A | HOH601 |
| A | HOH633 |
| A | HOH733 |
| A | HOH749 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | binding site for residue OHY A 504 |
| Chain | Residue |
| A | VAL9 |
| A | GLY10 |
| A | CYS12 |
| A | LYS16 |
| A | PRO34 |
| A | GLY60 |
| A | GLU62 |
| A | ARG68 |
| A | ASP69 |
| A | MET72 |
| A | HIS95 |
| A | TYR96 |
| A | HOH630 |
| A | HOH631 |
| A | HOH642 |
| B | HIS95 |
| B | GLN99 |
| site_id | AC5 |
| Number of Residues | 26 |
| Details | binding site for residue GDP B 501 |
| Chain | Residue |
| B | GLY13 |
| B | VAL14 |
| B | GLY15 |
| B | LYS16 |
| B | SER17 |
| B | ALA18 |
| B | PHE28 |
| B | VAL29 |
| B | ASP30 |
| B | ASN116 |
| B | LYS117 |
| B | ASP119 |
| B | LEU120 |
| B | SER145 |
| B | ALA146 |
| B | LYS147 |
| B | CA502 |
| B | HOH610 |
| B | HOH620 |
| B | HOH622 |
| B | HOH624 |
| B | HOH659 |
| B | HOH674 |
| B | HOH679 |
| B | HOH691 |
| B | HOH693 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 502 |
| Chain | Residue |
| B | SER17 |
| B | GDP501 |
| B | HOH610 |
| B | HOH617 |
| B | HOH620 |
| B | HOH648 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 503 |
| Chain | Residue |
| B | GLU63 |
| B | GLY138 |
| B | HOH606 |
| B | HOH651 |
| B | HOH719 |
| B | HOH721 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide OHY B 504 and CYS B 12 |
| Chain | Residue |
| B | PRO34 |
| B | ALA59 |
| B | GLY60 |
| B | GLU62 |
| B | ARG68 |
| B | ASP69 |
| B | MET72 |
| B | HIS95 |
| B | TYR96 |
| B | GLN99 |
| B | HOH612 |
| B | HOH620 |
| B | HOH633 |
| B | HOH662 |
| B | HOH671 |
| B | HOH677 |
| A | HIS95 |
| A | GLN99 |
| B | GLY10 |
| B | ALA11 |
| B | GLY13 |
| B | VAL14 |
| B | LYS16 |
| site_id | AC9 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide OHY B 504 and CYS B 12 |
| Chain | Residue |
| A | HIS95 |
| A | GLN99 |
| B | GLY10 |
| B | ALA11 |
| B | GLY13 |
| B | VAL14 |
| B | LYS16 |
| B | PRO34 |
| B | ALA59 |
| B | GLY60 |
| B | GLU62 |
| B | ARG68 |
| B | ASP69 |
| B | MET72 |
| B | HIS95 |
| B | TYR96 |
| B | GLN99 |
| B | HOH612 |
| B | HOH620 |
| B | HOH633 |
| B | HOH662 |
| B | HOH671 |
| B | HOH677 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 16 |
| Details | Motif: {"description":"Effector region"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 36 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22431598","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22566140","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34380736","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"35522713","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N-acetylmethionine; in GTPase KRas; alternate","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Calvo F.","Kolch W."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N-acetylthreonine; in GTPase KRas, N-terminally processed","evidences":[{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"UniProtKB","authors":["Bienvenut W.V.","Calvo F.","Kolch W."]}}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"22711838","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"(Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL","evidences":[{"source":"PubMed","id":"19744486","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
