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6V9J

Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods

Functional Information from GO Data
ChainGOidnamespacecontents
A0003924molecular_functionGTPase activity
A0005525molecular_functionGTP binding
A0007165biological_processsignal transduction
A0016020cellular_componentmembrane
B0005085molecular_functionguanyl-nucleotide exchange factor activity
B0007264biological_processsmall GTPase-mediated signal transduction
C0003924molecular_functionGTPase activity
C0005525molecular_functionGTP binding
C0007165biological_processsignal transduction
C0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues31
Detailsbinding site for residue GNP A 201
ChainResidue
AGLY12
AASP30
AGLU31
ATYR32
APRO34
ATHR35
AGLY60
AGLN61
AASN116
ALYS117
AASP119
AGLY13
ALEU120
ASER145
AALA146
ALYS147
AMG202
AHOH321
AHOH358
AHOH368
AHOH371
AHOH373
AVAL14
AHOH410
AHOH424
AGLY15
ALYS16
ASER17
AALA18
APHE28
AVAL29

site_idAC2
Number of Residues5
Detailsbinding site for residue MG A 202
ChainResidue
ASER17
ATHR35
AGNP201
AHOH321
AHOH358

site_idAC3
Number of Residues15
Detailsbinding site for residue QTM B 2001
ChainResidue
BVAL852
BMET878
BASN879
BVAL883
BTYR884
BLEU886
BTHR889
BPHE890
BILE893
BGLU902
BHIS905
BHOH2176
BHOH2327
BHOH2372
BHOH2517

site_idAC4
Number of Residues6
Detailsbinding site for residue FMT B 2002
ChainResidue
BGLN566
BMET567
BHIS616
BMET617
BHOH2169
BHOH2240

site_idAC5
Number of Residues3
Detailsbinding site for residue FMT B 2003
ChainResidue
AARG128
BARG767
BPRO768

site_idAC6
Number of Residues7
Detailsbinding site for residue FMT B 2004
ChainResidue
AGLU37
AMET67
AGLN70
BALA619
BARG688
BHOH2145
BHOH2148

site_idAC7
Number of Residues6
Detailsbinding site for residue FMT B 2005
ChainResidue
BGLU611
BTYR615
BHIS616
BARG647
BTYR681
BHOH2268

site_idAC8
Number of Residues1
Detailsbinding site for residue FMT B 2006
ChainResidue
BTYR1031

site_idAC9
Number of Residues5
Detailsbinding site for residue GOL B 2007
ChainResidue
BSER793
BASP794
BPRO978
BTYR979
BHOH2262

site_idAD1
Number of Residues5
Detailsbinding site for residue GOL B 2008
ChainResidue
BARG786
BGLU864
BVAL1040
BHOH2102
BHOH2237

site_idAD2
Number of Residues5
Detailsbinding site for residue FMT C 201
ChainResidue
BLEU938
CLYS16
CSER17
CGLU62
CHOH302

site_idAD3
Number of Residues6
Detailsbinding site for residue NA C 202
ChainResidue
CASN85
CASN86
CTHR87
CTHR124
CHOH463
CHOH469

Functional Information from PROSITE/UniProt
site_idPS00720
Number of Residues34
DetailsRASGEF Ras Guanine-nucleotide exchange factors domain signature. VPFfGiyLtNIlkteegnpevlkrhgkel.................INFsK
ChainResidueDetails
BVAL927-LYS960

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000269|PubMed:16698776
ChainResidueDetails
CGLY13
CVAL29
CALA59
CASN116
CSER145

site_idSWS_FT_FI2
Number of Residues1
DetailsMOD_RES: N-acetylmethionine; in GTPase HRas; alternate => ECO:0000269|Ref.12
ChainResidueDetails
CMET1

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: N-acetylthreonine; in GTPase HRas, N-terminally processed => ECO:0000269|Ref.12
ChainResidueDetails
CTHR2

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: S-nitrosocysteine => ECO:0000269|PubMed:9020151
ChainResidueDetails
CCYS118

site_idSWS_FT_FI5
Number of Residues1
DetailsCARBOHYD: (Microbial infection) O-linked (Glc) threonine; by P.sordellii toxin TcsL => ECO:0000269|PubMed:19744486, ECO:0000269|PubMed:8626575, ECO:0000269|PubMed:8626586, ECO:0000269|PubMed:9632667
ChainResidueDetails
CTHR35

221051

PDB entries from 2024-06-12

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