Structure of PDB 2eug Chain A Binding Site BS01

Receptor Information
>2eug Chain A (length=225) Species: 37762 (Escherichia coli B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTWHDVLAEEKQQPHFLNTLQTVASERQSGVTIYPPQKDVFNAFRFTELG
DVKVVILGQDPYHGPGQAHGLAFSVRPGIAIPPSLLNMYKELENTIPGFT
RPNHGYLESWARQGVLLLNTVLTVRAGQAHSHASLGWETFTDKVISLINQ
HREGVVFLLWGSHAQKKGAIIDKQRHHVLKAPHPSPLSAHRGFFGCNHFV
LANQWLEQHGETPIDWMPVLPAESE
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 chain2eug Chain A Residue 230 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eug Crystal structure of Escherichia coli uracil DNA glycosylase and its complexes with uracil and glycerol: structure and glycosylase mechanism revisited.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		G62 Q63 D64 Y66 A76 F77 N123
Binding residue
(residue number reindexed from 1)		G58 Q59 D60 Y62 A72 F73 N119
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D64 Y66 F77 H187
Catalytic site (residue number reindexed from 1) D60 Y62 F73 H183
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0097510 base-excision repair, AP site formation via deaminated base removal
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2eug, PDBe:2eug, PDBj:2eug
PDBsum2eug
PubMed10090282
UniProtP12295|UNG_ECOLI Uracil-DNA glycosylase (Gene Name=ung)

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