Structure of PDB 1wcf Chain A Binding Site BS01

Receptor Information
>1wcf Chain A (length=162) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTL
GDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGD
PRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAE
VQRSVERFKAGT
Ligand information
Ligand IDK
InChIInChI=1S/K/q+1
InChIKeyNPYPAHLBTDXSSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[K+]
FormulaK
NamePOTASSIUM ION
ChEMBLCHEMBL1233793
DrugBankDB01345
ZINC
PDB chain1wcf Chain A Residue 1162 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wcf Structure of the Mycobacterium Tuberculosis Soluble Inorganic Pyrophosphatase Rv3628 at Ph 7.0.
Resolution1.54 Å
Binding residue
(original residue number in PDB)		K127 D128 L129 E130 P131 K133
Binding residue
(residue number reindexed from 1)		K128 D129 L130 E131 P132 K134
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
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:1wcf, PDBe:1wcf, PDBj:1wcf
PDBsum1wcf
PubMed21821883
UniProtP9WI55|IPYR_MYCTU Inorganic pyrophosphatase (Gene Name=ppa)

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