Structure of PDB 2gu2 Chain A Binding Site BS01

Receptor Information

>2gu2 Chain A (length=307) Species: 10116 (Rattus norvegicus)

CVAEEPIKKIAIFGGTHGNELTGVFLVTHWLKNGAEVHRAGLEVKPFITN
PRAVEKCTRYIDCDLNRVFDLENLSKEMSEDLPYEVRRAQEINHLFGPKN
SDDAYDVVFDLHNTTSNMGCTLILGDSGNDFLIQMFHYIKTCMAPLPCSV
YLIEHPSLKYATTRSIAKYPVGIEVGPQPHGVLRADILDQMRRMLKHALD
FIQRFNEGKEFPPCAIDVYKIMEKVDYPRNESGDVAAVIHPNLQDQDWKP
LHPGDPVFVSLDGKVIPLGGDCTVYPVFVNEAAYYEKKEAFAKTTKLTLN
AKSIRST

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2gu2 Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gu2 Structure of aspartoacylase, the brain enzyme impaired in Canavan disease.
• Resolution: 1.805 Å
• Binding residue (original residue number in PDB): H20 E23 H115
• Binding residue (residue number reindexed from 1): H17 E20 H112
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.15: aspartoacylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
• GO:0019807 aspartoacylase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006083 acetate metabolic process
• GO:0006531 aspartate metabolic process
• GO:0022010 central nervous system myelination
• GO:0048714 positive regulation of oligodendrocyte differentiation

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2gu2, PDBe:2gu2, PDBj:2gu2
• PDBsum: 2gu2
• PubMed: 17194761
• UniProt: Q9R1T5|ACY2_RAT Aspartoacylase (Gene Name=Aspa)