6P8Z
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide 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 | 6 |
| Details | binding site for residue CA A 301 |
| Chain | Residue |
| A | SER17 |
| A | GDP303 |
| A | HOH418 |
| A | HOH426 |
| A | HOH431 |
| A | HOH451 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | binding site for residue CA A 302 |
| Chain | Residue |
| A | GLY138 |
| A | HOH443 |
| site_id | AC3 |
| Number of Residues | 23 |
| Details | binding site for residue GDP A 303 |
| Chain | Residue |
| A | VAL14 |
| A | GLY15 |
| A | LYS16 |
| A | SER17 |
| A | ALA18 |
| A | PHE28 |
| A | VAL29 |
| A | ASP30 |
| A | ASN116 |
| A | LYS117 |
| A | ASP119 |
| A | LEU120 |
| A | SER145 |
| A | ALA146 |
| A | LYS147 |
| A | CA301 |
| A | HOH414 |
| A | HOH426 |
| A | HOH451 |
| A | HOH457 |
| A | HOH467 |
| A | HOH503 |
| A | GLY13 |
| site_id | AC4 |
| Number of Residues | 18 |
| Details | binding site for residue O5S A 304 |
| Chain | Residue |
| A | VAL9 |
| A | GLY10 |
| A | CYS12 |
| A | LYS16 |
| A | PRO34 |
| A | THR58 |
| A | ALA59 |
| A | GLY60 |
| A | ARG68 |
| A | MET72 |
| A | ASP92 |
| A | HIS95 |
| A | TYR96 |
| A | GLN99 |
| A | ILE100 |
| A | HOH426 |
| A | HOH473 |
| A | HOH490 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 301 |
| Chain | Residue |
| B | SER17 |
| B | GDP303 |
| B | HOH405 |
| B | HOH415 |
| B | HOH426 |
| B | HOH467 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 302 |
| Chain | Residue |
| B | GLY138 |
| B | HOH404 |
| B | HOH453 |
| B | HOH473 |
| B | HOH489 |
| B | HOH498 |
| site_id | AC7 |
| Number of Residues | 24 |
| Details | binding site for residue GDP B 303 |
| Chain | Residue |
| B | ALA11 |
| B | GLY13 |
| B | VAL14 |
| B | GLY15 |
| B | LYS16 |
| B | SER17 |
| B | ALA18 |
| B | PHE28 |
| B | VAL29 |
| B | ASP30 |
| B | GLU31 |
| B | ASN116 |
| B | LYS117 |
| B | ASP119 |
| B | LEU120 |
| B | SER145 |
| B | ALA146 |
| B | LYS147 |
| B | CA301 |
| B | O5S304 |
| B | HOH403 |
| B | HOH405 |
| B | HOH420 |
| B | HOH459 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide O5S B 304 and CYS B 12 |
| Chain | Residue |
| B | ARG68 |
| B | MET72 |
| B | ASP92 |
| B | HIS95 |
| B | TYR96 |
| B | GLN99 |
| B | GDP303 |
| B | HOH449 |
| B | HOH467 |
| A | ILE24 |
| A | GLN25 |
| A | HIS27 |
| A | TYR40 |
| B | GLY10 |
| B | ALA11 |
| B | GLY13 |
| B | VAL14 |
| B | LYS16 |
| B | PRO34 |
| B | ALA59 |
| B | GLY60 |
| B | GLN61 |
| B | GLU62 |
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 | 1 |
| 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 |
