Structure of PDB 2pga Chain B Binding Site BS01

Receptor Information
>2pga Chain B (length=241) 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]
SDVFHLGLTKNDLQGAQLAIVPGDPERVEKIAALMDKPVKLASHREFTSW
RAELDGKAVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHIN
VGDVLVTTASVRLDGASLHFAPMEFPAVADFACTTALVEAAKSIGATTHV
GVTASSDTFYPGQERYDTYSGRVVRRFKGSMEEWQAMGVMNYEMESATLL
TMCASQGLRAGMVAGVIVNRTQQEIPNHAVKIVVEAARRLL
Ligand information
Ligand IDANU
InChIInChI=1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
InChIKeyUUGITDASWNOAGG-CCXZUQQUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
CACTVS 3.385OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=O)C=CN23)[C@@H]1O
OpenEye OEToolkits 2.0.6C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=O
CACTVS 3.385OC[CH]1O[CH]2[CH](OC3=NC(=O)C=CN23)[CH]1O
FormulaC9 H10 N2 O5
Name2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil;
Anhydrouridine;
2,2'-ANHYDROURIDINE;
CYCLOURIDINE
ChEMBLCHEMBL3251336
DrugBankDB04627
ZINCZINC000000315929
PDB chain2pga Chain B Residue 7016 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pga X-ray Structure of the Uridine Phosphorylase From SALMONELLA TYPHIMURIUM in Complex with Inhibitor and Phosphate and Potassium Ion at 1.74 A Resolution
Resolution1.74 Å
Binding residue
(original residue number in PDB)		T6094 F6162 Q6166 R6168 M6197 E6198 I6220
Binding residue
(residue number reindexed from 1)		T91 F159 Q163 R165 M194 E195 I217
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R6030 R6048 R6091 R6168 I6220 V6221
Catalytic site (residue number reindexed from 1) R27 R45 R88 R165 I217 V218
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:2pga, PDBe:2pga, PDBj:2pga
PDBsum2pga
PubMed
UniProtP0A1F6|UDP_SALTY Uridine phosphorylase (Gene Name=udp)

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