Structure of PDB 6rca Chain A Binding Site BS01

Receptor Information
>6rca Chain A (length=251) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVFHLGVTEADLNGATLAIIPGDPARVQKIAELMDNPVFLASHREYTVY
RAELDGQSVVVCSTGIGGPSTSIAVEELAQLGVRTFLRVGTTGAIQPHVN
VGDMIVTTGSVRLDGASLHFAPMEFPAVPDFDVATAMKAAAQESGATVHM
GVTASSDTFYPGQERYDTFTGRVVRRFQGSMKEWQDMGVLNFEMESATLL
TMCASSGLKAGCVAGVIINRTQKEIPDHATLKETEARSIKVVVEAARKML
K
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 chain6rca Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rca X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine
Resolution1.345 Å
Binding residue
(original residue number in PDB)		T93 F161 Q165 E195 M196 E197
Binding residue
(residue number reindexed from 1)		T91 F159 Q163 E193 M194 E195
Annotation score2
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) H5 G23 R27 R45 E77 R88 T91 R165 I217 I218 R220 L231
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:6rca, PDBe:6rca, PDBj:6rca
PDBsum6rca
PubMed
UniProtQ9K4U1

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