Structure of PDB 7c3k Chain B Binding Site BS01

Receptor Information
>7c3k Chain B (length=389) Species: 57486 (Mus musculus molossinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKASSLTEFFKNFKMESKIISKETIDSIQSCIQEGDIQKVISIINAALTD
IEKAPLNIAVTGETGAGKSTFINALRGIGHEESESAESTMDRKKYTHPKF
PNVTIWDLPGVGTTNFKPEEYLKKMKFQEYDFFLIISSARFRNNEAQLAE
AIKKMKKKFYFVRTKIDSDLWNEKKAKPSSYNREKILEAIRSDCVKNLQA
STRVFLVSSFEVAQFDFPSLESTLLEELPAHKRHIFVQCLPTITEPAIDR
RRDVLKQTIWLEALKAGASATIPMMSFFNDDIEEFEKILSHYRACFGLDD
ESLENMAKEWSMSVEELESTIKSPHLLSSEPNESVADKLVKTMEKIFAVT
GGFVATGLYFRKSYYMQNYFLDTVTEDAKVLLKKLEHHH
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain7c3k Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7c3k Molecular basis of IRGB10 oligomerization and membrane association for pathogen membrane disruption.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		T77 G78 G80 K81 S82 T83 S101 K183 D185 S186 S230 S231 F232
Binding residue
(residue number reindexed from 1)		T64 G65 G67 K68 S69 T70 S88 K165 D167 S168 S208 S209 F210
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003925 G protein activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0140912 membrane destabilizing activity
Biological Process
GO:0009617 response to bacterium
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0042832 defense response to protozoan
GO:0045087 innate immune response
GO:0050832 defense response to fungus
GO:0051260 protein homooligomerization
GO:0051607 defense response to virus
GO:0051673 disruption of plasma membrane integrity in another organism
GO:0140639 positive regulation of pyroptotic inflammatory response
GO:0140973 positive regulation of AIM2 inflammasome complex assembly
GO:1900227 positive regulation of NLRP3 inflammasome complex assembly
Cellular Component
GO:0016020 membrane
GO:0030659 cytoplasmic vesicle membrane
GO:0031410 cytoplasmic vesicle
GO:0106139 symbiont cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c3k, PDBe:7c3k, PDBj:7c3k
PDBsum7c3k
PubMed33469160
UniProtQ0GUM3|IRB10_MOUSE Interferon-gamma-inducible GTPase 10 (Gene Name=Gm12250)

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