Structure of PDB 2hwu Chain F Binding Site BS01

Receptor Information
>2hwu Chain F (length=242) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSDVFHLGLTKNDLQGAQLAIVPGDPERVEKIAALMDKPVKLASHREFTS
WRAELDGKAVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHI
NVGDVLVTTASVRLDGASLHFAPMEFPAVADFACTTALVEAAKSIGATTH
VGVTASSDTFYPGQERYDTYSGRVVRRFKGSMEEWQAMGVMNYEMESATL
LTMCASQGLRAGMVAGVIVNRTQQEIPSHAVKIVVEAARRLL
Ligand information
Ligand IDURI
InChIInChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKeyDRTQHJPVMGBUCF-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
FormulaC9 H12 N2 O6
NameURIDINE
ChEMBLCHEMBL100259
DrugBankDB02745
ZINCZINC000002583633
PDB chain2hwu Chain F Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hwu Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with uridine and phosphate ion at 2.91A resolution
Resolution2.91 Å
Binding residue
(original residue number in PDB)		I4069 T4094 G4096 F4162 Q4166 R4168 E4196 M4197 E4198
Binding residue
(residue number reindexed from 1)		I67 T92 G94 F160 Q164 R166 E194 M195 E196
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H4008 G4026 R4030 R4048 E4080 R4091 T4094 R4168 I4220 V4221 R4223
Catalytic site (residue number reindexed from 1) H6 G24 R28 R46 E78 R89 T92 R166 I218 V219 R221
Enzyme Commision number 2.4.2.3: uridine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004850 uridine phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009166 nucleotide catabolic process
GO:0044206 UMP salvage
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hwu, PDBe:2hwu, PDBj:2hwu
PDBsum2hwu
PubMed
UniProtP0A1F6|UDP_SALTY Uridine phosphorylase (Gene Name=udp)

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