Structure of PDB 1qez Chain D Binding Site BS01

Receptor Information

>1qez Chain D (length=169) Species: 2285 (Sulfolobus acidocaldarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KLSPGKNAPDVVNVLVEIPQGSNIKYEYDDEEGVIKVDRVLYTSMNYPFN
YGFIPGTLEEDGDPLDVLVITNYQLYPGSVIEVRPIGILYMKDEEGEDAK
IVAVPKDKTDPSFSNIKDINDLPQATKNKIVHFFEHYKELEPGKYVKISG
WGSATEAKNRIQLAIKRVS

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

1qez Chain D Residue 4201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	1qez Sulfolobus acidocaldarius inorganic pyrophosphatase: structure, thermostability, and effect of metal ion in an archael pyrophosphatase.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	D4062 D4099
Binding residue (residue number reindexed from 1)	D61 D98
Annotation score	1

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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External links

PDB	RCSB:1qez, PDBe:1qez, PDBj:1qez
PDBsum	1qez
PubMed	10386872
UniProt	P50308\|IPYR_SULAC Inorganic pyrophosphatase (Gene Name=ppa)

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