Structure of PDB 8i69 Chain A Binding Site BS01

Receptor Information
>8i69 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 IDFOT
InChIInChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
InChIKeySEHFUALWMUWDKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(=C(NC(=O)NC1=O)C(=O)O)F
ACDLabs 10.04O=C(O)C1=C(F)C(=O)NC(=O)N1
CACTVS 3.341OC(=O)C1=C(F)C(=O)NC(=O)N1
FormulaC5 H3 F N2 O4
Name5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;
5-FLUOROOROTIC ACID
ChEMBLCHEMBL1232805
DrugBank
ZINCZINC000001663959
PDB chain8i69 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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PDB8i69 Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G66 Q67 D68 Y70 S80 F81 S93 N127 H191
Binding residue
(residue number reindexed from 1)		G67 Q68 D69 Y71 S81 F82 S94 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:8i69, PDBe:8i69, PDBj:8i69
PDBsum8i69
PubMed37399710
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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