Structure of PDB 3c74 Chain B Binding Site BS01

Receptor Information
>3c74 Chain B (length=244) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSDVFHLGLTKNDLQGAQLAIVPGDPERVEKIAALMDKPVKLASHREFTS
WRAELDGKAVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHI
NVGDVLVTTASVRLDGASLHFAPMEFPAVADFACTTALVEAAKSIGATTH
VGVTASSDTFYPGQERYDTYSGRVVRRFKGSMEEWQAMGVMNYEMESATL
LTMCASQGLRAGMVAGVIVNRTQQEIPNESHAVKIVVEAARRLL
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 chain3c74 Chain B Residue 1516 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c74 X-ray structure of the uridine phosphorylase from salmonella typhimurium in complex with 2,2'-anhydrouridine at 2.38a resolution
Resolution2.38 Å
Binding residue
(original residue number in PDB)		I2069 T2094 F2162 Q2166 Y2195 E2196 M2197 E2198
Binding residue
(residue number reindexed from 1)		I67 T92 F160 Q164 Y193 E194 M195 E196
Annotation score2
Enzymatic activity
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:3c74, PDBe:3c74, PDBj:3c74
PDBsum3c74
PubMed
UniProtP0A1F6|UDP_SALTY Uridine phosphorylase (Gene Name=udp)

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