Structure of PDB 1rxs Chain j Binding Site BS02

Receptor Information
>1rxs Chain j (length=242) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREFTTW
RAELDGKPVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHIN
VGDVLVTTASVRLDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHV
GVTASSDTFYPGQERYDTYSGRVVRHFKGSMEEWQAMGVMNYEMESATLL
TMCASQGLRAGMVAGVIVNRTQQEIPNSHAVKIVVEAARRLL
Ligand information
Ligand IDDUR
InChIInChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKeyMXHRCPNRJAMMIM-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CO
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
FormulaC9 H12 N2 O5
Name2'-DEOXYURIDINE
ChEMBLCHEMBL353955
DrugBankDB02256
ZINCZINC000000155696
PDB chain1rxs Chain j Residue 3082 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rxs Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I2069 T2094 T2095 G2096 F2162 Q2166 R2168 M2197 E2198
Binding residue
(residue number reindexed from 1)		I66 T91 T92 G93 F159 Q163 R165 M194 E195
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H2008 R2030 R2048 E2080 R2091 R2168 I2220 V2221 R2223
Catalytic site (residue number reindexed from 1) H5 R27 R45 E77 R88 R165 I217 V218 R220
Enzyme Commision number 2.4.2.3: uridine phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004850 uridine phosphorylase activity
GO:0005524 ATP binding
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0030955 potassium ion binding
GO:0042802 identical protein binding
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0006218 uridine catabolic process
GO:0006974 DNA damage response
GO:0009116 nucleoside metabolic process
GO:0009164 nucleoside catabolic process
GO:0009166 nucleotide catabolic process
GO:0044206 UMP salvage
GO:0046050 UMP catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rxs, PDBe:1rxs, PDBj:1rxs
PDBsum1rxs
PubMed15003451
UniProtP12758|UDP_ECOLI Uridine phosphorylase (Gene Name=udp)

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