Structure of PDB 1oe5 Chain A Binding Site BS03

Receptor Information
>1oe5 Chain A (length=243) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PADSFLKVELELNLKLSNLVFQDPVQYVYNPLVYAWAPHENYVQTYCKSK
KEVLFLGMNPGPFGMAQTGVPFGEVNHVRDWLQIEGPVSKPEVEHPKRRI
RGFECPQSEVSGARFWSLFKSLCGQPETFFKHCFVHNHCPLIFMNHSGKN
LTPTDLPKAQRDTLLEICDEALCQAVRVLGVKLVIGVGRFSEQRARKALM
AEGIDVTVKGIMHPSPRNPQANKGWEGIVRGQLLELGVLSLLT
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 chain1oe5 Chain A Residue 1282 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oe5 Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G94 M95 N96 F109 N174 H250
Binding residue
(residue number reindexed from 1)		G57 M58 N59 F72 N137 H213
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.2.-
Gene Ontology
Molecular Function
GO:0017065 single-strand selective uracil DNA N-glycosylase activity
Biological Process
GO:0006284 base-excision repair

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Molecular Function
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Biological Process
External links
PDB RCSB:1oe5, PDBe:1oe5, PDBj:1oe5
PDBsum1oe5
PubMed12820976
UniProtQ9YGN6|SMUG1_XENLA Single-strand selective monofunctional uracil DNA glycosylase (Gene Name=smug1)

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