Structure of PDB 1tgv Chain B Binding Site BS01

Receptor Information
>1tgv Chain B (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
TMCASQGLRAGMVAGVIVNRTQMKQTESHAVKIVVEAARRLL
Ligand information
Ligand ID5UD
InChIInChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChIKeyFHIDNBAQOFJWCA-UAKXSSHOSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O
ACDLabs 10.04FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
CACTVS 3.341OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F
FormulaC9 H11 F N2 O6
Name5-FLUOROURIDINE
ChEMBLCHEMBL54918
DrugBankDB01629
ZINCZINC000001078624
PDB chain1tgv Chain B Residue 5002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tgv Structures of E. coli Uridine Phosphorylase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T94 T95 G96 F162 Q166 E196 M197 E198 I220
Binding residue
(residue number reindexed from 1)		T91 T92 G93 F159 Q163 E193 M194 E195 I217
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H8 G26 R30 R48 E80 R91 T94 R168 I220 V221 R223 M234
Catalytic site (residue number reindexed from 1) H5 G23 R27 R45 E77 R88 T91 R165 I217 V218 R220 M223
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:1tgv, PDBe:1tgv, PDBj:1tgv
PDBsum1tgv
PubMed
UniProtP12758|UDP_ECOLI Uridine phosphorylase (Gene Name=udp)

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