Structure of PDB 8h2b Chain B Binding Site BS03

Receptor Information

>8h2b Chain B (length=368) Species: 63186 (Zobellia galactanivorans)

SIQSKSAVAKGDGSFTITHVTVAEPKADELLVKIKAAGLCHTDYDSLSWG
KPIVMGHEGAGVVEKVGSDIKDLKKGDQVLLNWATPCMHCFQCQEGNQHI
CENNSPVVAGGHTPGHAHLEGSQWEGKPIERSFNLGTLSEYALVKESAVV
KIEEENLNFSAASIISCGVMTGYGSVVNSAKLAAGSSAVILGCGGVGLNV
INACEISGAGRIIAVDINPNKLELAKQFGATDVILADKTDVGLANVAEQV
KEVLGGRGADYAFECTAIPALGAAPLAMVRNAGTAVQVSGIEEDITIDMR
LFEWDKIYINPLYGKCRPQIDFPKLMQLYKKGDLKLDEMITKEYKLDDLQ
QALDDMLAGKNAKGVVVF

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: 8h2b Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8h2b Crystal structure of alcohol dehydrogenase from Zobellia galactanivorans
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): C88 C91 C94 C102
• Binding residue (residue number reindexed from 1): C87 C90 C93 C101
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.1: alcohol dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004022 alcohol dehydrogenase (NAD+) activity
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051903 S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity

Biological Process

• GO:0046294 formaldehyde catabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8h2b, PDBe:8h2b, PDBj:8h2b
• PDBsum: 8h2b
• UniProt: G0L712