Structure of PDB 3a7n Chain A Binding Site BS02

Receptor Information
>3a7n Chain A (length=233) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHGMASMTARPLSELVERGWAAALEPVADQVAHMGQFLRAEIAAGRRYLP
AGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSL
ANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKG
WEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSP
LSASRGFFGSRPFSRANELLVGMGAEPIDWRLP
Ligand information
Ligand IDFLC
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
ACDLabs 10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
FormulaC6 H5 O7
NameCITRATE ANION
ChEMBL
DrugBank
ZINC
PDB chain3a7n Chain A Residue 229 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a7n Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H-5 G-3 M-2 Y42 A45 G46
Binding residue
(residue number reindexed from 1)		H1 G3 M4 Y48 A51 G52
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D68 Y70 F81 H191
Catalytic site (residue number reindexed from 1) D74 Y76 F87 H197
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:3a7n, PDBe:3a7n, PDBj:3a7n
PDBsum3a7n
PubMed20693660
UniProtP9WFQ9|UNG_MYCTU Uracil-DNA glycosylase (Gene Name=ung)

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