Structure of PDB 5tea Chain E Binding Site BS01

Receptor Information
>5tea Chain E (length=173) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFNQILTPGDVDGGIINVVNEIPAGSNHKIEWNRKLAAFQLDRIEPAIFA
KPTNYGFIPQTLDEDGDELDVLLVTEQPLATGVFLEARVIGVMKFVDDGE
VDDKIVCVPADDRNNGNAYKTLSDLPQQLIKQIEFHFNHYKDLKKAGTTK
VESWGGAEEAKKVIKESIERWNK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5tea Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tea Crystal structure of an inorganic pyrophosphatase from
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D67 D72 D104
Binding residue
(residue number reindexed from 1)		D65 D70 D102
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:0005737 cytoplasm
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:5tea, PDBe:5tea, PDBj:5tea
PDBsum5tea
PubMed
UniProtQ9K0G4|IPYR_NEIMB Inorganic pyrophosphatase (Gene Name=ppa)

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