Structure of PDB 8i63 Chain A Binding Site BS01

Receptor Information
>8i63 Chain A (length=221) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFT
FPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTAD
LGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIR
ALAARAAPLVAILWGRDASTLKPMLANCVAIESPHPSPLSASRGFFGSRP
FSRANELLVGMGAEPIDWRLP
Ligand information
Ligand IDBR8
InChIInChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKeyHNYOPLTXPVRDBG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1NC(=O)NC(=O)C1
OpenEye OEToolkits 1.9.2C1C(=O)NC(=O)NC1=O
CACTVS 3.385O=C1CC(=O)NC(=O)N1
FormulaC4 H4 N2 O3
NameBARBITURIC ACID
ChEMBLCHEMBL574699
DrugBank
ZINCZINC000005187769
PDB chain8i63 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8i63 Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G66 Q67 D68 Y70 S80 F81 N127
Binding residue
(residue number reindexed from 1)		G62 Q63 D64 Y66 S76 F77 N123
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
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:8i63, PDBe:8i63, PDBj:8i63
PDBsum8i63
PubMed37399710
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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