Structure of PDB 5kdf Chain A

Receptor sequence
>5kdfA (length=161) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
AMQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTL
GDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGD
PRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAE
VQRSVERFKAG
3D structure
PDB5kdf Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ChainA
Resolution2.45 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 6RU A P63 W102 P64 W103 PDBbind-CN: -logKd/Ki=3.27,IC50=540uM
BindingDB: IC50=5.40e+5nM
BS02 CA A E18 D29 E19 D30
BS03 CA A K127 D128 E130 K133 K128 D129 E131 K134
BS04 POP A K16 R30 D89 Y126 K127 K17 R31 D90 Y127 K128
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006796 phosphate-containing compound metabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0044228 host cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5kdf, PDBe:5kdf, PDBj:5kdf
PDBsum5kdf
PubMed27622287
UniProtP9WI55|IPYR_MYCTU Inorganic pyrophosphatase (Gene Name=ppa)

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