Structure of PDB 3bje Chain B Binding Site BS03

Receptor Information
>3bje Chain B (length=327) Species: 5691 (Trypanosoma brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPIGKDGTTLHLKCKSDELADRIIFVGDPGRVDVISGYFDKDSIRASRD
HREIRFATGTYKGTPVTVISTGMGVDNIEIVLNEIHALKEYDMERGQWRH
RKGDADAPSAGPFFDPSTMKIIRLGTCGSPAESVPPLALAVTRHAIGMDN
TSLYYSAGTRETSKDQQEIRRIVREQTGLRAIDIYTSMAHPNITKSICAA
CDAHNAATGSEADKQQYVIGTTATASGFYGCQGRRVGRFMKHLTVPNMVE
ELGSLKFNLSNGVEVVTNIEMETSAICYLSDMLGYQAGAACVVVSKRVGE
KKMFLGDQLDAAMKRCIKIILEALVSA
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 chain3bje Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bje The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
Resolution1.44 Å
Binding residue
(original residue number in PDB)		C141 G142 F242 Q246 R248 V308 S309
Binding residue
(residue number reindexed from 1)		C127 G128 F228 Q232 R234 V294 S295
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.2.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004731 purine-nucleoside phosphorylase activity
GO:0004850 uridine phosphorylase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006218 uridine catabolic process
GO:0009116 nucleoside metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0097014 ciliary plasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bje, PDBe:3bje, PDBj:3bje
PDBsum3bje
PubMed20070944
UniProtQ57VZ2

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