Structure of PDB 7btn Chain A Binding Site BS01

Receptor Information

>7btn Chain A (length=275) Species: 9606 (Homo sapiens)

GFSTEERAAPFSLEYRVFLKNEKGQYISPFHDIPIYADKDVFHMVVEVPR
WSNAKMEIATKDPLNPIKQDVKKGKLRYVANLFPYKGYIWNYGAIPQTWE
DPGDNDPIDVCEIGSKVCARGEIIGVKVLGILAMIDEGETDWKVIAINVD
DPDAANYNDINDVKRLKPGYLEATVDWFRRYKVPDGKPENEFAFNAEFKD
KDFAIDIIKSTHDHWKALVTKKTNGKGISCMNTTLSESPFKCDPDAARAI
VDALPPPCESACTVPTDVDKWFHHQ

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: 7btn Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7btn Structural and biochemical characterization of inorganic pyrophosphatase from Homo sapiens.
• Resolution: 2.382 Å
• Binding residue (original residue number in PDB): E102 D116 D118 P119 I120 D121
• Binding residue (residue number reindexed from 1): E100 D104 D106 P107 I108 D109
• 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:0016462 pyrophosphatase 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
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:7btn, PDBe:7btn, PDBj:7btn
• PDBsum: 7btn
• PubMed: 33036755
• UniProt: Q15181|IPYR_HUMAN Inorganic pyrophosphatase (Gene Name=PPA1)