Structure of PDB 6unc Chain D Binding Site BS02

Receptor Information
>6unc Chain D (length=277) 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
EVSVGYPREWRRRKPYSWLRQVLPDPQ
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 D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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 H83 H208 H249
Binding residue
(residue number reindexed from 1)		D40 N68 H69 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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