Structure of PDB 1qez Chain E Binding Site BS01

Receptor Information

>1qez Chain E (length=169) Species: 2285 (Sulfolobus acidocaldarius)

KLSPGKNAPDVVNVLVEIPQGSNIKYEYDDEEGVIKVDRVLYTSMNYPFN
YGFIPGTLEEDGDPLDVLVITNYQLYPGSVIEVRPIGILYMKDEEGEDAK
IVAVPKDKTDPSFSNIKDINDLPQATKNKIVHFFEHYKELEPGKYVKISG
WGSATEAKNRIQLAIKRVS

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1qez Chain E Residue 5201

Receptor-Ligand Complex Structure

Structure summary

• 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): D5062 D5099
• 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

External links

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