Structure of PDB 117e Chain A Binding Site BS02

Receptor Information

>117e Chain A (length=282) Species: 4932 (Saccharomyces cerevisiae)

TYTTRQIGAKNTLEYKVYIEKDGKPVSAFHDIPLYADKENNIFNMVVEIP
RWTNAKLEITKEETLNPIIQDTKKGKLRFVRNCFPHHGYIHNYGAFPQTW
EDPNVSHPETKAVGDNEPIDVLEIGETIAYTGQVKQVKALGIMALLDEGE
TDWKVIAIDINDPLAPKLNDIEDVEKYFPGLLRATNEWFRIYKIPDGKPE
NQFAFSGEAKNKKYALDIIKETHDSWKQLIAGKSSDSKGIDLTNVTLPDT
PTYSKAASDAIPPASLKADAPIDKSIDKWFFI

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 117e Chain A Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 117e The R78K and D117E active-site variants of Saccharomyces cerevisiae soluble inorganic pyrophosphatase: structural studies and mechanistic implications.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): E117 D120
• Binding residue (residue number reindexed from 1): E117 D120
• 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:117e, PDBe:117e, PDBj:117e
• PDBsum: 117e
• PubMed: 9878371
• UniProt: P00817|IPYR_YEAST Inorganic pyrophosphatase (Gene Name=IPP1)