Structure of PDB 8i6d Chain B Binding Site BS01

Receptor Information
>8i6d Chain B (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 B 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)		E19 P20 D23
Binding residue
(residue number reindexed from 1)		E14 P15 D18
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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