Structure of PDB 4txm Chain B Binding Site BS01

Receptor Information
>4txm Chain B (length=282) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVNSHLSELDEDVFHHFGFTTKSFDFKEKFGDVKFVCVCGSSGRIHNFAI
SMAKLAGVENIAGSHARFVLYKVDHILFADHGMGIPSALIMLHEVTKLLH
YAGCKDVLFIRLGTSGGLGVKPGTIVLSDRCVNTKLEPYNELCILGKPVR
RQTIVDLNTVNELKKLSENLLECSVVVGGTIAANDFYEEQGRLDGSICTF
SKEEKLAFLQSAYEHGIRNMEMEGTAITSHCYLTGHRAILVCVTAVNRLE
GDQITISTDEFTLFAQRPGQLVGEYLKRNNGI
Ligand information
Ligand IDTDR
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(=CNC(=O)N1)C
FormulaC5 H6 N2 O2
NameTHYMINE
ChEMBLCHEMBL993
DrugBankDB03462
ZINCZINC000000157062
PDB chain4txm 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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PDB4txm Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		T124 S125 G126 F197 Q201 R203 M231 E232
Binding residue
(residue number reindexed from 1)		T114 S115 G116 F186 Q190 R192 M220 E221
Annotation score1
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:4txm, PDBe:4txm, PDBj:4txm
PDBsum4txm
PubMed26898674
UniProtG4VGI0|UPPA_SCHMA Uridine phosphorylase A (Gene Name=UPPA)

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