Structure of PDB 5yat Chain B Binding Site BS01

Receptor Information

>5yat Chain B (length=347) Species: 644223 (Komagataella phaffii GS115)

TIPTTQKAVIFETNGGPLEYKDIPVPKPKSNELLINVKYSGVCHTDLHAW
KGDWPLDNKLPLVGGHEGAGVVVAYGENVTGWEIGDYAGIKWLNGSCLNC
EYCIQGAESSCAKADLSGFTHDGSFQQYATADATQAARIPKEADLAEVAP
ILCAGITVYKALKTADLRIGQWVAISGAGGGLGSLAVQYAKALGLRVLGI
DGGADKGEFVKSLGAEVFVDFTKTKDVVAEVQKLTNGGPHGVINVSVSPH
AINQSVQYVRTLGKVVLVGLPSGAVVNSDVFWHVLKSIEIKGSYVGNRED
SAEAIDLFTRGLVKAPIKIIGLSELAKVYEQMEAGAIIGRYVVDTSK

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: 5yat Chain B Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5yat Investigation of structure and function of mitochondrial alcohol dehydrogenase isozyme III from Komagataella phaffii GS115.
• Resolution: 1.745 Å
• Binding residue (original residue number in PDB): C46 H69 E70 C156
• Binding residue (residue number reindexed from 1): C43 H66 E67 C153
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C46 T48 H51 H69 C156
• Catalytic site (residue number reindexed from 1): C43 T45 H48 H66 C153
• Enzyme Commision number: 1.1.1.1: alcohol dehydrogenase.

Gene Ontology

Molecular Function

• GO:0004022 alcohol dehydrogenase (NAD+) activity
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5yat, PDBe:5yat, PDBj:5yat
• PDBsum: 5yat
• PubMed: 29474823
• UniProt: C4R0S8