Structure of PDB 2ik0 Chain A Binding Site BS02

Receptor Information

>2ik0 Chain A (length=271) Species: 4932 (Saccharomyces cerevisiae)

TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVDIP
RWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNYGAFPQTW
EDPVGDNDPIDVLEIGETIAYTGQVKQVKALGIMALLDEETDWKVIAIDI
NDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPENQFAFSGEAK
NKKYALDIIKETHDSWKQLIAGKSSSKGIDLTNVTLPDTPTYSKAASDAI
PPASKADAPIDKSIDKWFFIS

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: 2ik0 Chain A Residue 289

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ik0 A Complete Structural Description of the Catalytic Cycle of Yeast Pyrophosphatase.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): R78 Y192 K193
• Binding residue (residue number reindexed from 1): R78 Y182 K183
• 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:2ik0, PDBe:2ik0, PDBj:2ik0
• PDBsum: 2ik0
• PubMed: 17260952
• UniProt: P00817|IPYR_YEAST Inorganic pyrophosphatase (Gene Name=IPP1)