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6B0Y

Crystal Structure of small molecule ARS-917 covalently bound to K-Ras G12C

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 201
ChainResidue
ASER17
AGDP205
AHOH321
AHOH331
AHOH339
AHOH359

site_idAC2
Number of Residues7
Detailsbinding site for residue CA A 202
ChainResidue
AHOH334
AHOH432
AHOH434
AHOH442
AGLU63
AGLY138
AHOH323

site_idAC3
Number of Residues13
Detailsbinding site for residue 8ZG A 203
ChainResidue
AVAL9
AGLY10
ACYS12
ALYS16
APRO34
AALA59
AGLY60
AGLU62
AARG68
AMET72
AHIS95
ATYR96
AGLN99

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 204
ChainResidue
AILE21
AGLN25
AHIS27
ATYR40
AHOH302
BGLN25

site_idAC5
Number of Residues26
Detailsbinding site for residue GDP A 205
ChainResidue
AGLY13
AVAL14
AGLY15
ALYS16
ASER17
AALA18
APHE28
AVAL29
AASP30
AASN116
ALYS117
AASP119
ALEU120
ASER145
AALA146
ALYS147
ACA201
AHOH339
AHOH342
AHOH346
AHOH359
AHOH373
AHOH386
AHOH390
AHOH399
AHOH401

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL B 201
ChainResidue
AHIS94
AHIS95
AGLN99
BGLU62
BGLU63
BHIS95
B8ZG204
BHOH385

site_idAC7
Number of Residues6
Detailsbinding site for residue CA B 202
ChainResidue
BSER17
BGDP206
BHOH319
BHOH348
BHOH349
BHOH356

site_idAC8
Number of Residues6
Detailsbinding site for residue CA B 203
ChainResidue
BGLU63
BGLY138
BHOH309
BHOH320
BHOH388
BHOH441

site_idAC9
Number of Residues7
Detailsbinding site for residue GOL B 205
ChainResidue
AGLN25
BILE21
BGLN25
BHIS27
BTYR32
BTYR40
BHOH324

site_idAD1
Number of Residues27
Detailsbinding site for residue GDP B 206
ChainResidue
BSER145
BALA146
BLYS147
BCA202
BHOH317
BHOH318
BHOH326
BHOH347
BHOH348
BHOH349
BHOH379
BHOH411
BHOH415
BGLY13
BVAL14
BGLY15
BLYS16
BSER17
BALA18
BPHE28
BVAL29
BASP30
BGLU31
BASN116
BLYS117
BASP119
BLEU120

site_idAD2
Number of Residues18
Detailsbinding site for Di-peptide 8ZG B 204 and CYS B 12
ChainResidue
BVAL9
BGLY10
BALA11
BGLY13
BVAL14
BLYS16
BPRO34
BALA59
BGLY60
BGLU62
BARG68
BMET72
BHIS95
BTYR96
BGLN99
BGOL201
BHOH402
BHOH458

site_idAD3
Number of Residues18
Detailsbinding site for Di-peptide 8ZG B 204 and CYS B 12
ChainResidue
BVAL9
BGLY10
BALA11
BGLY13
BVAL14
BLYS16
BPRO34
BALA59
BGLY60
BGLU62
BARG68
BMET72
BHIS95
BTYR96
BGLN99
BGOL201
BHOH402
BHOH458

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

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PDB entries from 2024-07-24

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