Structure of PDB 1vlj Chain B Binding Site BS01

Receptor Information

>1vlj Chain B (length=400) Species: 243274 (Thermotoga maritima MSB8)

HHHHHMENFVFHNPTKIVFGRGTIPKIGEEIKNAGIRKVLFLYGGGSIKK
NGVYDQVVDSLKKHGIEWVEVSGVKPNPVLSKVHEAVEVAKKEKVEAVLG
VGGGSVVDSAKAVAAGALYEGDIWDAFIGKYQIEKALPIFDVLTISATGT
EMNGNAVITNEKTKEKYGVSSKALYPKVSIIDPSVQFTLPKEQTVYGAVD
AISHILEYYFDGSSPEISNEIAEGTIRTIMKMTERLIEKPDDYEARANLA
WSATIALNGTMAVGRRGGEWACHRIEHSLSALYDIAHGAGLAIVFPAWMK
YVYRKNPAQFERFAKKIFGFEGEGEELILKGIEAFKNWLKKVGAPVSLKD
AGIPEEDIDKIVDNVMLLVEKNLKPKGASLGRIMVLEREDVREILKLAAK

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 1vlj Chain B Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1vlj Crystal structure of NADH-dependent butanol dehydrogenase A (TM0820) from Thermotoga maritima at 1.78 A resolution
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): D195 H199 H268 H282
• Binding residue (residue number reindexed from 1): D200 H204 H273 H287
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.-

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008106 alcohol dehydrogenase (NADP+) activity
• GO:0016491 oxidoreductase activity
• GO:0018455 alcohol dehydrogenase [NAD(P)+] activity
• GO:0046872 metal ion binding
• GO:1990002 methylglyoxal reductase (NADPH) (acetol producing) activity
• GO:1990362 butanol dehydrogenase (NAD+) activity

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1vlj, PDBe:1vlj, PDBj:1vlj
• PDBsum: 1vlj
• UniProt: Q9WZS7