Structure of PDB 5tea Chain B Binding Site BS01

Receptor Information
>5tea Chain B (length=174) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFNQILTPGDVDGGIINVVNEIPAGSNHKIEWNRKLAAFQLDRIEPAIFA
KPTNYGFIPQTLDEDGDELDVLLVTEQPLATGVFLEARVIGVMKFVDDGE
VDDKIVCVPADDRNNGNAYKTLSDLPQQLIKQIEFHFNHYKDLKKAGTTK
VESWGGAEEAKKVIKESIERWNKQ
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 B 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)		D65 D69 E70 D72 D104
Binding residue
(residue number reindexed from 1)		D63 D67 E68 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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Molecular Function
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Biological Process
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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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