Structure of PDB 8i61 Chain A Binding Site BS01

Receptor Information
>8i61 Chain A (length=228) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNV
LRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFD
EYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVT
ECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASR
GFFGSRPFSRANELLVGMGAEPIDWRLP
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 chain8i61 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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PDB8i61 Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution1.24 Å
Binding residue
(original residue number in PDB)		G66 Q67 D68 Y70 S80 F81 N127 H191
Binding residue
(residue number reindexed from 1)		G67 Q68 D69 Y71 S81 F82 N128 H192
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:8i61, PDBe:8i61, PDBj:8i61
PDBsum8i61
PubMed37399710
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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