5V9U
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
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 201 |
| Chain | Residue |
| A | SER17 |
| A | GDP206 |
| A | HOH336 |
| A | HOH347 |
| A | HOH370 |
| A | HOH378 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CA A 202 |
| Chain | Residue |
| A | HOH391 |
| A | HOH469 |
| A | HOH473 |
| A | GLU63 |
| A | GLY138 |
| A | HOH344 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue CA A 203 |
| Chain | Residue |
| A | ASP105 |
| A | HOH390 |
| A | HOH442 |
| B | HOH328 |
| B | HOH345 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | binding site for residue 91S A 204 |
| Chain | Residue |
| A | GLY10 |
| A | CYS12 |
| A | LYS16 |
| A | PRO34 |
| A | ALA59 |
| A | GLY60 |
| A | GLU62 |
| A | ARG68 |
| A | MET72 |
| A | HIS95 |
| A | TYR96 |
| A | GLN99 |
| A | VAL103 |
| A | HOH333 |
| A | HOH371 |
| A | HOH375 |
| B | GOL206 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 205 |
| Chain | Residue |
| A | GLN25 |
| A | HIS27 |
| A | TYR32 |
| A | TYR40 |
| A | HOH306 |
| B | GLN25 |
| B | HOH303 |
| site_id | AC6 |
| Number of Residues | 26 |
| Details | binding site for residue GDP A 206 |
| Chain | Residue |
| A | GLY13 |
| 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 | CA201 |
| A | HOH325 |
| A | HOH347 |
| A | HOH360 |
| A | HOH378 |
| A | HOH415 |
| A | HOH418 |
| A | HOH420 |
| A | HOH425 |
| A | HOH428 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | binding site for residue CA A 207 |
| Chain | Residue |
| A | LYS101 |
| A | GLU107 |
| A | HOH364 |
| B | GLU63 |
| B | HOH309 |
| B | HOH344 |
| B | HOH401 |
| B | HOH412 |
| B | HOH437 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 201 |
| Chain | Residue |
| A | HIS94 |
| A | HIS95 |
| A | GLU98 |
| A | GLN99 |
| B | GLU62 |
| B | HIS95 |
| B | 91S204 |
| B | HOH319 |
| B | HOH321 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 202 |
| Chain | Residue |
| B | SER17 |
| B | GDP207 |
| B | HOH325 |
| B | HOH361 |
| B | HOH363 |
| B | HOH377 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 203 |
| Chain | Residue |
| B | GLU63 |
| B | GLY138 |
| B | HOH335 |
| B | HOH412 |
| B | HOH437 |
| B | HOH463 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 205 |
| Chain | Residue |
| B | HIS27 |
| B | TYR32 |
| B | TYR40 |
| B | HOH331 |
| A | GLN25 |
| B | GLN25 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 206 |
| Chain | Residue |
| A | GLU62 |
| A | TYR64 |
| A | HIS95 |
| A | 91S204 |
| A | HOH304 |
| A | HOH371 |
| B | HIS95 |
| B | GLN99 |
| site_id | AD4 |
| Number of Residues | 26 |
| Details | binding site for residue GDP B 207 |
| 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 | CA202 |
| B | HOH316 |
| B | HOH327 |
| B | HOH342 |
| B | HOH361 |
| B | HOH375 |
| B | HOH377 |
| B | HOH434 |
| B | HOH435 |
| B | HOH445 |
| site_id | AD5 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide 91S B 204 and CYS B 12 |
| Chain | Residue |
| 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 | GOL201 |
| B | HOH319 |
| B | HOH334 |
| B | HOH356 |
| B | HOH361 |
| B | HOH366 |
| B | HOH433 |
| B | HOH475 |
| site_id | AD6 |
| Number of Residues | 23 |
| Details | binding site for Di-peptide 91S B 204 and CYS B 12 |
| Chain | Residue |
| 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 | GOL201 |
| B | HOH319 |
| B | HOH334 |
| B | HOH356 |
| B | HOH361 |
| B | HOH366 |
| B | HOH433 |
| B | HOH475 |
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 |
