Structure of PDB 8jqz Chain B Binding Site BS01

Receptor Information
>8jqz Chain B (length=374) Species: 57486 (Mus musculus molossinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KASSLTEFFKNFKMESKIISKETIDSIQSCIQEGDIQKVISIINAALTDI
EKAPLNIAVTGETGAGKSTFINALRGIGHEESEMDRKKYTHPKFPNVTIW
DLPGVFKPEEYLKKMKFQEYDFFLIISSARFREAQLAEAIKKMKKKFYFV
RTKIDSDLWNEKKAKPSSYNREKILEAIRSDCVKNLQRVFLVSSFEVAQF
DFPSLESTLLEELPAHKRHIFVQCLPTITEPAIDRRRDVLKQTIWLEALK
AGASATIPMMSFFNDDIEEFEKILSHYRACFGLDDESLENMAKEWSMSVE
ELESTIKSPHLLSSEPNESVADKLVKTMEKIFAVTGGFVATGLYFRKSYY
MQNYFLDTVTEDAKVLLKKLEHHH
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain8jqz Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jqz Structural basis of IRGB10 oligomerization by GTP hydrolysis.
Resolution3.05 Å
Binding residue
(original residue number in PDB)		T77 G78 A79 G80 K81 S82 T83 K183 D185 F232
Binding residue
(residue number reindexed from 1)		T63 G64 A65 G66 K67 S68 T69 K153 D155 F195
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0006952 defense response
GO:0035458 cellular response to interferon-beta
Cellular Component
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jqz, PDBe:8jqz, PDBj:8jqz
PDBsum8jqz
PubMed37705969
UniProtU5NFV2

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