Structure of PDB 8i6d Chain A Binding Site BS01

Receptor Information
>8i6d Chain A (length=222) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVLRAFTF
PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADL
GYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRA
LAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSR
PFSRANELLVGMGAEPIDWRLP
Ligand information
Ligand IDODF
InChIInChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
InChIKeyOFJNVANOCZHTMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(C(=O)NC(=O)N1)O
CACTVS 3.385OC1=CNC(=O)NC1=O
FormulaC4 H4 N2 O3
Name5-oxidanyl-1~{H}-pyrimidine-2,4-dione;
5-Hydroxy-2,4(1H,3H)-pyrimidinedion
ChEMBLCHEMBL1561505
DrugBank
ZINCZINC000100019684
PDB chain8i6d 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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PDB8i6d Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D68 Y70 F81 N127 H191
Binding residue
(residue number reindexed from 1)		D63 Y65 F76 N122 H186
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:8i6d, PDBe:8i6d, PDBj:8i6d
PDBsum8i6d
PubMed37399710
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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