Structure of PDB 8i68 Chain A Binding Site BS01

Receptor Information
>8i68 Chain A (length=223) 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
ALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGS
RPFSRANELLVGMGAEPIDWRLP
Ligand information
Ligand IDURC
InChIInChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKeyLEHOTFFKMJEONL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)C2=C(N1)NC(=O)N2
OpenEye OEToolkits 1.5.0C12=C(NC(=O)N1)NC(=O)NC2=O
ACDLabs 10.04O=C1C2=C(NC(=O)N1)NC(=O)N2
FormulaC5 H4 N4 O3
NameURIC ACID;
7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE
ChEMBLCHEMBL792
DrugBankDB08844
ZINCZINC000002041003
PDB chain8i68 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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PDB8i68 Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		D68 Y70 S80 F81 S93 N127
Binding residue
(residue number reindexed from 1)		D64 Y66 S76 F77 S89 N123
Annotation score4
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:8i68, PDBe:8i68, PDBj:8i68
PDBsum8i68
PubMed37399710
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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