Structure of PDB 1y1r Chain D Binding Site BS01

Receptor Information
>1y1r Chain D (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
TMCASQGLRAGMVAGVIVNRTMKQTESHAVKIVVEAARRLL
Ligand information
Ligand IDBJE
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-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
OpenEye OEToolkits 2.0.6C1=CN2C3C(C(C(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
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-ribofuranosyl)uracil;
Anhydrouridine;
2,2'-ANHYDROURIDINE;
CYCLOURIDINE
ChEMBL
DrugBank
ZINCZINC000003956782
PDB chain1y1r Chain D Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1y1r Crystal Structures of Salmonella Typhimurium Uridine Phosphorylase in Complex with Inhibitor and Phosphate.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		F3162 Q3166 R3168 E3196 M3197 E3198
Binding residue
(residue number reindexed from 1)		F159 Q163 R165 E193 M194 E195
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R3030 R3048 R3091 R3168 I3220 V3221
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:1y1r, PDBe:1y1r, PDBj:1y1r
PDBsum1y1r
PubMed
UniProtP0A1F6|UDP_SALTY Uridine phosphorylase (Gene Name=udp)

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