Structure of PDB 2ik1 Chain A Binding Site BS01

Receptor Information

>2ik1 Chain A (length=273) Species: 4932 (Saccharomyces cerevisiae)

TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVEIP
RWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNFGAFPQTW
EDPNGDNDPIDVLEIGETIAYTGQVKQVKALGIMALLDEGETDWKVIAID
INDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPENQFAFSGEA
KNKKYALDIIKETHDSWKQLIAGKSSDSKGIDLTNVTLPDTPTYSKAASD
AIPPASLKADAPIDKSIDKWFFI

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: 2ik1 Chain A Residue 287

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ik1 A Complete Structural Description of the Catalytic Cycle of Yeast Pyrophosphatase.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D115 D120 D152
• Binding residue (residue number reindexed from 1): D106 D111 D143
• 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:2ik1, PDBe:2ik1, PDBj:2ik1
• PDBsum: 2ik1
• PubMed: 17260952
• UniProt: P00817|IPYR_YEAST Inorganic pyrophosphatase (Gene Name=IPP1)