Structure of PDB 5xtk Chain A Binding Site BS01

Receptor Information
>5xtk Chain A (length=150) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEKYVVTWDMLQIHARKLAQRLLPAEQWKGIIAVSRGGLVPAGILARELG
IRYVDTVCISSYDHDNQRDLKVLKRAEGDGEGFIVIDDLVDTGGTATAIR
EMYPKAHFVTIFAKPAGRPLVDDYVVDIPQNTWIEQPWDMAVTFVAPLSG
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[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)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain5xtk Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xtk Crystal structure of Xanthine-guanine phosphoribosyltransferase from Yersinia pestis
Resolution1.74 Å
Binding residue
(original residue number in PDB)		R69 L90 D92 T93 T96 K115 W134 I135
Binding residue
(residue number reindexed from 1)		R68 L89 D91 T92 T95 K114 W133 I134
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.2.-
2.4.2.22: xanthine phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0000310 xanthine phosphoribosyltransferase activity
GO:0004422 hypoxanthine phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
GO:0052657 guanine phosphoribosyltransferase activity
Biological Process
GO:0006166 purine ribonucleoside salvage
GO:0032263 GMP salvage
GO:0032264 IMP salvage
GO:0032265 XMP salvage
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5xtk, PDBe:5xtk, PDBj:5xtk
PDBsum5xtk
PubMed
UniProtQ8ZC05|XGPT_YERPE Xanthine-guanine phosphoribosyltransferase (Gene Name=gpt)

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