Structure of PDB 6ajr Chain A Binding Site BS02

Receptor Information
>6ajr Chain A (length=204) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGAQDFVPHTADLAELAAAAGECRGCGLYRDATQAVFGAGGRSARIMMIG
EQPGDKEDLAGLPFVGPAGRLLDRALEAADIDRDALYVTNAVKHFKFTRA
AGGKRRIHKTPSRTEVVACRPWLIAEMTSVEPDVVVLLGATAAKALLGND
FRVTQHRGEVLHVDVPPALVATVHPSSLLRGPKEERESAFAGLVDDLRVA
ADVR
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 chain6ajr Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ajr Covalent binding of uracil DNA glycosylase UdgX to abasic DNA upon uracil excision.
Resolution1.341 Å
Binding residue
(original residue number in PDB)		E52 Q53 E58 P64 F65 N91 H178
Binding residue
(residue number reindexed from 1)		E51 Q52 E57 P63 F64 N90 H174
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.31,Kd=48.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0097506 deaminated base DNA N-glycosylase activity
Biological Process
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:6ajr, PDBe:6ajr, PDBj:6ajr
PDBsum6ajr
PubMed31101917
UniProtA0QP43

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