Structure of PDB 5m2t Chain E Binding Site BS01

Receptor Information
>5m2t Chain E (length=252) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKTVFHLGVTEADLNGATLAIIPGDPARVQKIAELMDNPVFLASHREYTV
YRAELDGQSVVVCSTGIGGPSTSIAVEELAQLGVRTFLRVGTTGAIQPHV
NVGDMIVTTGSVRLDGASLHFAPMEFPAVPDFDVATAMKAAAQESGATVH
MGVTASSDTFYPGQERYDTFTGRVVRRFQGSMKEWQDMGVLNFEMESATL
LTMCASSGLKAGCVAGVIINRTQKEIPDHATLKETEARSIKVVVEAARKM
LK
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 chain5m2t Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m2t X-ray structure of uridine phosphorylase from Vibrio cholerae in complex with uridine at 1.03 A resolution
Resolution1.03 Å
Binding residue
(original residue number in PDB)		T93 T94 G95 F161 Q165 E195 M196 E197
Binding residue
(residue number reindexed from 1)		T92 T93 G94 F160 Q164 E194 M195 E196
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H7 G25 R29 R47 E79 R90 T93 R167 I219 I220 R222 L233
Catalytic site (residue number reindexed from 1) H6 G24 R28 R46 E78 R89 T92 R166 I218 I219 R221 L232
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:0046872 metal ion binding
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:5m2t, PDBe:5m2t, PDBj:5m2t
PDBsum5m2t
PubMed
UniProtQ9K4U1

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