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6P8W

Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.

Functional Information from GO Data
ChainGOidnamespacecontents
A0003924molecular_functionGTPase activity
A0005525molecular_functionGTP binding
A0007165biological_processsignal transduction
A0016020cellular_componentmembrane
B0003924molecular_functionGTPase activity
B0005525molecular_functionGTP binding
B0007165biological_processsignal transduction
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue CA A 301
ChainResidue
ASER17
AGDP303
AHOH413
AHOH416
AHOH420
AHOH441

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 302
ChainResidue
AHOH424
AHOH454
AHOH471
AGLU63
AGLY138
AHOH401

site_idAC3
Number of Residues20
Detailsbinding site for residue GDP A 303
ChainResidue
AGLY13
AVAL14
AGLY15
ALYS16
ASER17
AALA18
APHE28
AVAL29
AASP30
AARG73
AASN116
ALYS117
AASP119
ALEU120
ASER145
AALA146
ALYS147
ACA301
AHOH416
AHOH442

site_idAC4
Number of Residues19
Detailsbinding site for residue O67 A 304
ChainResidue
AGLY10
ACYS12
ALYS16
APRO34
AALA59
AGLY60
AGLN61
AGLU63
AARG68
ATYR96
AGLN99
AILE100
AARG102
AHOH405
AHOH434
AHOH441
AHOH465
BGLU98
BGLN99

site_idAC5
Number of Residues6
Detailsbinding site for residue CA B 301
ChainResidue
BSER17
BGDP303
BHOH404
BHOH419
BHOH424
BHOH428

site_idAC6
Number of Residues6
Detailsbinding site for residue CA B 302
ChainResidue
BGLU63
BGLY138
BHOH401
BHOH403
BHOH439
BHOH453

site_idAC7
Number of Residues21
Detailsbinding site for residue GDP B 303
ChainResidue
BGLY13
BVAL14
BGLY15
BLYS16
BSER17
BALA18
BPHE28
BVAL29
BASP30
BASN116
BLYS117
BASP119
BLEU120
BSER145
BALA146
BLYS147
BCA301
BO67304
BHOH419
BHOH424
BHOH447

site_idAC8
Number of Residues23
Detailsbinding site for Di-peptide O67 B 304 and CYS B 12
ChainResidue
BTYR96
BGLN99
BILE100
BARG102
BGDP303
BHOH405
BHOH424
BHOH445
AGLU98
AGLN99
BGLY10
BALA11
BGLY13
BVAL14
BLYS16
BPRO34
BALA59
BGLY60
BGLN61
BGLU63
BTYR64
BARG68
BMET72

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:22431598, ECO:0000269|PubMed:22566140
ChainResidueDetails
AGLY10
AVAL29
AALA59
AASN116
BGLY10
BVAL29
BALA59
BASN116

site_idSWS_FT_FI2
Number of Residues2
DetailsMOD_RES: N-acetylmethionine; in GTPase KRas; alternate => ECO:0000269|Ref.17
ChainResidueDetails
AMET1
BMET1

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: N-acetylthreonine; in GTPase KRas, N-terminally processed => ECO:0000269|Ref.17
ChainResidueDetails
ATHR2
BTHR2

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:22711838
ChainResidueDetails
ALYS104
BLYS104

site_idSWS_FT_FI5
Number of Residues2
DetailsCARBOHYD: (Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL => ECO:0000269|PubMed:19744486
ChainResidueDetails
ATHR35
BTHR35

221051

PDB entries from 2024-06-12

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