Structure of PDB 7fjg Chain A Binding Site BS01

Receptor Information

>7fjg Chain A (length=384) Species: 190304 (Fusobacterium nucleatum subsp. nucleatum ATCC 25586)

DNFNYKNDTKIIFGKDNYSEIGKNIKIFSKKTPKILLHYEADGELIKKLG
IYEKVISSLKEFDIEFIELGGVVPNPRLSLVYEGIKICKEENITFILAVG
GASVIDSAKAISLGAVDNGDVWDFFTAKRIPQDTLGIGVVLTIPGAGSEM
SESSIITDENKKQKAVCDTEVNFPKFAILNPEVCYTIPDRLMAAGIVDIL
SHLMERYFTKSIDTALSDSLIEATMKIVIKYGPLLMKDRKNYNYCSQIMW
AATMAHNGMIACGRVADWASHRIEHEISGIYDLTHGIGMAIIFPAWMKYT
KNIRPQIFEKFFKEVFNTVNIDEGINKLEEFFKSLGINLKLSDYGITEEY
FSLMAEKALGNSETLGRFMQLNKQDIINILNLAK

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: 7fjg Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7fjg Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
• Resolution: 2.72 Å
• Binding residue (original residue number in PDB): E206 H272 H286
• Binding residue (residue number reindexed from 1): E205 H271 H285
• 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:7fjg, PDBe:7fjg, PDBj:7fjg
• PDBsum: 7fjg
• UniProt: Q8R612