Structure of PDB 1e9g Chain B Binding Site BS03

Receptor Information

>1e9g Chain B (length=283) Species: 4932 (Saccharomyces cerevisiae)

TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVEIP
RWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNYGAFPQTW
EDPNVSHPETKAVGDNDPIDVLEIGETIAYTGQVKQVKALGIMALLDEGE
TDWKVIAIDINDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPE
NQFAFSGEAKNKKYALDIIKETHDSWKQLIAGKSSDSKGIDLTNVTLPDT
PTYSKAASDAIPPASLKADAPIDKSIDKWFFIS

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 1e9g Chain B Residue 3001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1e9g Toward a Quantum-Mechanical Description of Metal-Assisted Phosphoryl Transfer in Pyrophosphatase
• Resolution: 1.15 Å
• Binding residue (original residue number in PDB): R78 Y192 K193
• Binding residue (residue number reindexed from 1): R78 Y192 K193
• 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:0005515 protein binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006796 phosphate-containing compound metabolic process

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm

External links

• PDB: RCSB:1e9g, PDBe:1e9g, PDBj:1e9g
• PDBsum: 1e9g
• PubMed: 11248042
• UniProt: P00817|IPYR_YEAST Inorganic pyrophosphatase (Gene Name=IPP1)