Structure of PDB 6unc Chain A Binding Site BS02

Receptor Information
>6unc Chain A (length=278) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAEPTLWAISDLHTGHLGNKPVAESLYPSSPDDWLIVAGDVAERTDEIRW
SLDLLRRRFAKVIWVPGNHELWTTNRDPMQIFGRARYDYLVNMCDEMGVV
TPEHPFPVWTERGGPATIVPMFLLYDYSFLPEGANSKAEGVAIAKERNVV
ATDEFLLSPEPYPTRDAWCHERVAATRARLEQLDWMQPTVLVNHFPLLRQ
PCDALFYPEFSLWCGTTKTADWHTRYNAVCSVYGHLHIPRTTWYDGVRFE
EVSVGYPREWRRRKPYSWLRQVLPDPQY
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6unc Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6unc Structural insights into phosphopantetheinyl hydrolase PptH from Mycobacterium tuberculosis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D54 N82 H208 H249
Binding residue
(residue number reindexed from 1)		D40 N68 H194 H235
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.14: [acyl-carrier-protein] phosphodiesterase.
Gene Ontology
Molecular Function
GO:0008770 [acyl-carrier-protein] phosphodiesterase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6unc, PDBe:6unc, PDBj:6unc
PDBsum6unc
PubMed31886928
UniProtI6YEE1|PPTH_MYCTU [Acyl-carrier-protein] phosphodiesterase PptH (Gene Name=pptH)

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