Structure of PDB 4txl Chain B Binding Site BS01

Receptor Information
>4txl Chain B (length=284) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNSHLSELDEDVFHHFGFTTKSFDFKEKFGDVKFVCVCGSSGRIHNFAIS
MAKLAGLALPVENIAGSHARFVLYKVDHILFADHGMGIPSALIMLHEVTK
LLHYAGCKDVLFIRLGTSGGLGVKPGTIVLSDRCVNTKLEPYNELCILGK
PVRRQTIVDLNTVNELKKLSENLECSVVVGGTIAANDFYEEQGRLDGSIC
TFSKEEKLAFLQSAYEHGIRNMEMEGTAITSHCYLTGHRAILVCVTAVNR
EGDQITISTDEFTLFAQRPGQLVGEYLKRNNGII
Ligand information
Ligand IDURA
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC=CC(=O)N1
ACDLabs 10.04O=C1C=CNC(=O)N1
OpenEye OEToolkits 1.5.0C1=CNC(=O)NC1=O
FormulaC4 H4 N2 O2
NameURACIL
ChEMBLCHEMBL566
DrugBankDB03419
ZINCZINC000000895045
PDB chain4txl Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4txl Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		T124 S125 G126 F197 Q201 R203 M231 M233
Binding residue
(residue number reindexed from 1)		T117 S118 G119 F188 Q192 R194 M222 M224
Annotation score5
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:0042802 identical protein binding
GO:0047847 deoxyuridine phosphorylase activity
Biological Process
GO:0006218 uridine catabolic process
GO:0009116 nucleoside metabolic 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:4txl, PDBe:4txl, PDBj:4txl
PDBsum4txl
PubMed26898674
UniProtG4VGI0|UPPA_SCHMA Uridine phosphorylase A (Gene Name=UPPA)

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