Structure of PDB 1yqu Chain A Binding Site BS02

Receptor Information
>1yqu Chain A (length=243) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFSHNPLFCIDIIKTYKPDFTPRVAFILGSGLGALADQIENAVAISYEKL
PGFPVSELVLGHLQGVPVVCMKGRGHFYEGRGMTIMTDAIRTFKLLGCEL
LFCTNAAGSLRPEVGAGSLVALKDHINTMPGTPMVGLNDDRFGERFFSLA
NAYDAEYRALLQKVAKEEGFPLTEGVFVSYPGPNFETAAEIRMMQIIGGD
VVGMSVVPEVISARHCDLKVVAVSAITNQNFINLICGFLRKIA
Ligand information
Ligand IDGUN
InChIInChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKeyUYTPUPDQBNUYGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2[nH]cnc2C(=O)N1
ACDLabs 10.04O=C1c2ncnc2N=C(N1)N
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=O)NC(=N2)N
FormulaC5 H5 N5 O
NameGUANINE
ChEMBLCHEMBL219568
DrugBankDB02377
ZINCZINC000000895129
PDB chain1yqu Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yqu Escherichia coli purine nucleoside phosphorylase II, the product of the xapA gene
Resolution3.1 Å
Binding residue
(original residue number in PDB)		A118 F196 E197 M215 T238 N239
Binding residue
(residue number reindexed from 1)		A107 F185 E186 M204 T227 N228
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S34 H87 Y89 E90 A117 M215 S216 N239
Catalytic site (residue number reindexed from 1) S30 H76 Y78 E79 A106 M204 S205 N228
Enzyme Commision number 2.4.2.1: purine-nucleoside phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0042802 identical protein binding
GO:0047724 inosine nucleosidase activity
GO:0047975 guanosine phosphorylase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006148 inosine catabolic process
GO:0006149 deoxyinosine catabolic process
GO:0006152 purine nucleoside catabolic process
GO:0006161 deoxyguanosine catabolic process
GO:0009116 nucleoside metabolic process
GO:0015949 nucleobase-containing small molecule interconversion
GO:0034214 protein hexamerization
GO:0034355 NAD salvage
GO:0046115 guanosine catabolic process
GO:0055086 nucleobase-containing small molecule metabolic process
GO:1903228 xanthosine catabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yqu, PDBe:1yqu, PDBj:1yqu
PDBsum1yqu
PubMed15808857
UniProtP45563|XAPA_ECOLI Purine nucleoside phosphorylase 2 (Gene Name=xapA)

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