Structure of PDB 1oe6 Chain A Binding Site BS03

Receptor Information
>1oe6 Chain A (length=244) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPADSFLKVELELNLKLSNLVFQDPVQYVYNPLVYAWAPHENYVQTYCKS
KKEVLFLGMNPGPFGMAQTGVPFGEVNHVRDWLQIEGPVSKPEVEHPKRR
IRGFECPQSEVSGARFWSLFKSLCGQPETFFKHCFVHNHCPLIFMNHSGK
NLTPTDLPKAQRDTLLEICDEALCQAVRVLGVKLVIGVGRFSEQRARKAL
MAEGIDVTVKGIMHPSPRNPQANKGWEGIVRGQLLELGVLSLLT
Ligand information
Ligand IDHMU
InChIInChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
InChIKeyJDBGXEHEIRGOBU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1)CO
ACDLabs 10.04O=C1C(=CNC(=O)N1)CO
CACTVS 3.341OCC1=CNC(=O)NC1=O
FormulaC5 H6 N2 O3
Name5-HYDROXYMETHYL URACIL;
5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE
ChEMBLCHEMBL1233360
DrugBank
ZINCZINC000000114121
PDB chain1oe6 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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PDB1oe6 Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase Smug1
Resolution2.65 Å
Binding residue
(original residue number in PDB)		N96 G98 G101 M102 F109 E146 N174 H250
Binding residue
(residue number reindexed from 1)		N60 G62 G65 M66 F73 E110 N138 H214
Annotation score1
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:1oe6, PDBe:1oe6, PDBj:1oe6
PDBsum1oe6
PubMed12820976
UniProtQ9YGN6|SMUG1_XENLA Single-strand selective monofunctional uracil DNA glycosylase (Gene Name=smug1)

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