Structure of PDB 4e1v Chain A Binding Site BS01

Receptor Information
>4e1v Chain A (length=248) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSDVFHLGLTKNDLQGAQLAIVPGDPERVEKIAALMDKPVKLASHREFTS
WRAELDGKAVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHI
NVGDVLVTTASVRLDGASLHFAPMEFPAVADFACTTALVEAAKSIGATTH
VGVTASSDTFYPGQERYDTYSGRVVRRFKGSMEEWQAMGVMNYEMESATL
LTMCASQGLRAGMVAGVIVNRTQQEIPNAKQTESHAVKIVVEAARRLL
Ligand information
Ligand IDURF
InChIInChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyGHASVSINZRGABV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)F
ACDLabs 10.04
CACTVS 3.341		FC1=CNC(=O)NC1=O
FormulaC4 H3 F N2 O2
Name5-FLUOROURACIL
ChEMBLCHEMBL185
DrugBankDB00544
ZINCZINC000038212689
PDB chain4e1v Chain A Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4e1v X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		T1095 G1096 F1162 Q1166 R1168 I1220
Binding residue
(residue number reindexed from 1)		T93 G94 F160 Q164 R166 I218
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H1008 G1026 R1030 R1048 E1080 R1091 T1094 R1168 I1220 V1221 R1223
Catalytic site (residue number reindexed from 1) H6 G24 R28 R46 E78 R89 T92 R166 I218 V219 R221
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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Biological Process
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Cellular Component
External links
PDB RCSB:4e1v, PDBe:4e1v, PDBj:4e1v
PDBsum4e1v
PubMed22868762
UniProtP0A1F6|UDP_SALTY Uridine phosphorylase (Gene Name=udp)

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