Structure of PDB 4uc0 Chain A Binding Site BS01

Receptor Information
>4uc0 Chain A (length=247) Species: 373 (Agrobacterium vitis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVDLLIDRLNGLLPRIAIVLGSGLGGLVDEVENAVRIPFADIPGFPKEL
VAGLFAGQPIIMLAGRVHYYEEGDAAAMRLPIETLASLGVTTLILTNAAG
SLRADMPPGSVMQLIDHINFSGHNPLIGETGDGRFVGMTQAYDGELAEAM
RRAADAEDISLSSGVYMWFSGPSFETPAEIRMARTLGADAVGMSTVPEVI
LARFFGLKVAAASVITNYGAGMTDMAPIGGRRLVAILKRMIVDGGAD
Ligand information
Ligand IDHPA
InChIInChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKeyFDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1c2c(N=CN1)ncn2
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)N=CNC2=O
CACTVS 3.341O=C1NC=Nc2nc[nH]c12
FormulaC5 H4 N4 O
NameHYPOXANTHINE
ChEMBLCHEMBL1427
DrugBankDB04076
ZINCZINC000018153302
PDB chain4uc0 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4uc0 Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis
Resolution2.4 Å
Binding residue
(original residue number in PDB)		A109 G110 F184 E185 G202 M203 T226 N227
Binding residue
(residue number reindexed from 1)		A99 G100 F174 E175 G192 M193 T216 N217
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S25 H78 Y80 E81 A108 M203 S204 N227 G229
Catalytic site (residue number reindexed from 1) S23 H68 Y70 E71 A98 M193 S194 N217 G219
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
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:4uc0, PDBe:4uc0, PDBj:4uc0
PDBsum4uc0
PubMed
UniProtB9JYS2

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