Structure of PDB 2hrd Chain F Binding Site BS01

Receptor Information
>2hrd Chain F (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]
SKSDVFHLGLTKNDLQGAQLAIVPGDPERVEKIAALMDKPVKLASHREFT
SWRAELDGKAVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPH
INVGDVLVTTASVRLDGASLHFAPMEFPAVADFACTTALVEAAKSIGATT
HVGVTASSDTFYPGQERYDTYSGRVVRRFKGSMEEWQAMGVMNYEMESAT
LLTMCASQGLRAGMVAGVIVNRTQQEIPNESHAVKIVVEAARRLL
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 F Residue 906 [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)		T4094 F4162 Q4166 R4168 E4196 M4197 I4220
Binding residue
(residue number reindexed from 1)		T93 F161 Q165 R167 E195 M196 I219
Annotation score1
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) H7 G25 R29 R47 E79 R90 T93 R167 I219 V220 R222
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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Biological Process
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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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