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5YY1

Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739

Functional Information from GO Data
ChainGOidnamespacecontents
A0003924molecular_functionGTPase activity
A0005525molecular_functionGTP binding
A0007165biological_processsignal transduction
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue MG A 201
ChainResidue
ASER17
AGDP202
AHOH312
AHOH324
AHOH341
AHOH377

site_idAC2
Number of Residues25
Detailsbinding site for residue GDP A 202
ChainResidue
ALYS16
ASER17
AALA18
APHE28
AVAL29
AASP30
AASN116
ALYS117
AASP119
ALEU120
ASER145
AALA146
ALYS147
AMG201
AHOH312
AHOH324
AHOH325
AHOH341
AHOH360
AHOH390
AHOH393
AHOH402
AGLY13
AVAL14
AGLY15

site_idAC3
Number of Residues19
Detailsbinding site for residue 94F A 203
ChainResidue
AVAL9
ACYS12
ALYS16
APRO34
AALA59
AGLY60
AGLN61
AGLU62
ATYR64
AARG68
AASP69
AMET72
AHIS95
ATYR96
AGLN99
AILE100
AVAL103
AEDO205
AHOH341

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 204
ChainResidue
AGLY138
AILE139
APRO140
AGLU162
ALYS165

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 205
ChainResidue
AGLU62
AHIS95
A94F203
AHOH305
AHOH310
AHOH335

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:22431598, ECO:0000269|PubMed:22566140
ChainResidueDetails
AGLY10
AVAL29
AALA59
AASN116

site_idSWS_FT_FI2
Number of Residues1
DetailsMOD_RES: N-acetylmethionine; in GTPase KRas; alternate => ECO:0000269|Ref.17
ChainResidueDetails
AMET1

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: N-acetylthreonine; in GTPase KRas, N-terminally processed => ECO:0000269|Ref.17
ChainResidueDetails
ATHR2

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: N6-acetyllysine => ECO:0000269|PubMed:22711838
ChainResidueDetails
ALYS104

site_idSWS_FT_FI5
Number of Residues1
DetailsCARBOHYD: (Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL => ECO:0000269|PubMed:19744486
ChainResidueDetails
ATHR35

222624

PDB entries from 2024-07-17

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