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6P8Z

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
AHOH418
AHOH426
AHOH431
AHOH451

site_idAC2
Number of Residues2
Detailsbinding site for residue CA A 302
ChainResidue
AGLY138
AHOH443

site_idAC3
Number of Residues23
Detailsbinding site for residue GDP A 303
ChainResidue
AVAL14
AGLY15
ALYS16
ASER17
AALA18
APHE28
AVAL29
AASP30
AASN116
ALYS117
AASP119
ALEU120
ASER145
AALA146
ALYS147
ACA301
AHOH414
AHOH426
AHOH451
AHOH457
AHOH467
AHOH503
AGLY13

site_idAC4
Number of Residues18
Detailsbinding site for residue O5S A 304
ChainResidue
AVAL9
AGLY10
ACYS12
ALYS16
APRO34
ATHR58
AALA59
AGLY60
AARG68
AMET72
AASP92
AHIS95
ATYR96
AGLN99
AILE100
AHOH426
AHOH473
AHOH490

site_idAC5
Number of Residues6
Detailsbinding site for residue CA B 301
ChainResidue
BSER17
BGDP303
BHOH405
BHOH415
BHOH426
BHOH467

site_idAC6
Number of Residues6
Detailsbinding site for residue CA B 302
ChainResidue
BGLY138
BHOH404
BHOH453
BHOH473
BHOH489
BHOH498

site_idAC7
Number of Residues24
Detailsbinding site for residue GDP B 303
ChainResidue
BALA11
BGLY13
BVAL14
BGLY15
BLYS16
BSER17
BALA18
BPHE28
BVAL29
BASP30
BGLU31
BASN116
BLYS117
BASP119
BLEU120
BSER145
BALA146
BLYS147
BCA301
BO5S304
BHOH403
BHOH405
BHOH420
BHOH459

site_idAC8
Number of Residues23
Detailsbinding site for Di-peptide O5S B 304 and CYS B 12
ChainResidue
BARG68
BMET72
BASP92
BHIS95
BTYR96
BGLN99
BGDP303
BHOH449
BHOH467
AILE24
AGLN25
AHIS27
ATYR40
BGLY10
BALA11
BGLY13
BVAL14
BLYS16
BPRO34
BALA59
BGLY60
BGLN61
BGLU62

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

222415

PDB entries from 2024-07-10

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