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6PGP

Crystal structure of human KRAS G12C covalently bound to a quinazolinone 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 Residues25
Detailsbinding site for residue GDP A 501
ChainResidue
AGLY13
AASN116
ALYS117
AASP119
ALEU120
ASER145
AALA146
ALYS147
ACA502
AHOH615
AHOH623
AVAL14
AHOH634
AHOH640
AHOH642
AHOH707
AHOH718
AHOH720
AGLY15
ALYS16
ASER17
AALA18
APHE28
AVAL29
AASP30

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 502
ChainResidue
ASER17
AGDP501
AHOH608
AHOH615
AHOH641
AHOH642

site_idAC3
Number of Residues6
Detailsbinding site for residue CA A 503
ChainResidue
AGLU63
AGLY138
AHOH601
AHOH633
AHOH733
AHOH749

site_idAC4
Number of Residues17
Detailsbinding site for residue OHY A 504
ChainResidue
AVAL9
AGLY10
ACYS12
ALYS16
APRO34
AGLY60
AGLU62
AARG68
AASP69
AMET72
AHIS95
ATYR96
AHOH630
AHOH631
AHOH642
BHIS95
BGLN99

site_idAC5
Number of Residues26
Detailsbinding site for residue GDP B 501
ChainResidue
BGLY13
BVAL14
BGLY15
BLYS16
BSER17
BALA18
BPHE28
BVAL29
BASP30
BASN116
BLYS117
BASP119
BLEU120
BSER145
BALA146
BLYS147
BCA502
BHOH610
BHOH620
BHOH622
BHOH624
BHOH659
BHOH674
BHOH679
BHOH691
BHOH693

site_idAC6
Number of Residues6
Detailsbinding site for residue CA B 502
ChainResidue
BSER17
BGDP501
BHOH610
BHOH617
BHOH620
BHOH648

site_idAC7
Number of Residues6
Detailsbinding site for residue CA B 503
ChainResidue
BGLU63
BGLY138
BHOH606
BHOH651
BHOH719
BHOH721

site_idAC8
Number of Residues23
Detailsbinding site for Di-peptide OHY B 504 and CYS B 12
ChainResidue
BPRO34
BALA59
BGLY60
BGLU62
BARG68
BASP69
BMET72
BHIS95
BTYR96
BGLN99
BHOH612
BHOH620
BHOH633
BHOH662
BHOH671
BHOH677
AHIS95
AGLN99
BGLY10
BALA11
BGLY13
BVAL14
BLYS16

site_idAC9
Number of Residues23
Detailsbinding site for Di-peptide OHY B 504 and CYS B 12
ChainResidue
AHIS95
AGLN99
BGLY10
BALA11
BGLY13
BVAL14
BLYS16
BPRO34
BALA59
BGLY60
BGLU62
BARG68
BASP69
BMET72
BHIS95
BTYR96
BGLN99
BHOH612
BHOH620
BHOH633
BHOH662
BHOH671
BHOH677

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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