Structure of PDB 2hrd Chain C Binding Site BS01

Receptor Information
>2hrd Chain C (length=245) 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
LTMCASQGLRAGMVAGVIVNRTQQEIPNTESHAVKIVVEAARRLL
Ligand information
Ligand IDTDR
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(=CNC(=O)N1)C
FormulaC5 H6 N2 O2
NameTHYMINE
ChEMBLCHEMBL993
DrugBankDB03462
ZINCZINC000000157062
PDB chain2hrd Chain C Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hrd Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with thymine and phosphate ion at 1.70A resolution
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T2094 T2095 G2096 F2162 Q2166 R2168 E2196 M2197 I2220
Binding residue
(residue number reindexed from 1)		T92 T93 G94 F160 Q164 R166 E194 M195 I218
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R2030 R2048 R2091 R2168 I2220 V2221
Catalytic site (residue number reindexed from 1) R28 R46 R89 R166 I218 V219
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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Cellular Component
External links
PDB RCSB:2hrd, PDBe:2hrd, PDBj:2hrd
PDBsum2hrd
PubMed
UniProtP0A1F6|UDP_SALTY Uridine phosphorylase (Gene Name=udp)

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