Structure of PDB 8i6c Chain A Binding Site BS01

Receptor Information
>8i6c Chain A (length=227) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLPAGSNVL
RAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDE
YTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTE
CAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRG
FFGSRPFSRANELLVGMGAEPIDWRLP
Ligand information
Ligand IDOG6
InChIInChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)
InChIKeyDUGHQFVNXIWPEA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(O)C1=CC(=O)NC(=O)N1
OpenEye OEToolkits 2.0.7C1=C(NC(=O)NC1=O)C(O)O
FormulaC5 H6 N2 O4
Name6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione;
6-Formyl-uracil hydrate
ChEMBL
DrugBank
ZINCZINC000039953727
PDB chain8i6c 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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PDB8i6c Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		G66 Q67 D68 Y70 S80 F81 N127
Binding residue
(residue number reindexed from 1)		G66 Q67 D68 Y70 S80 F81 N127
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:8i6c, PDBe:8i6c, PDBj:8i6c
PDBsum8i6c
PubMed37399710
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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