Structure of PDB 8i29 Chain A Binding Site BS01

Receptor Information

>8i29 Chain A (length=384) Species: 190304 (Fusobacterium nucleatum subsp. nucleatum ATCC 25586)

DNFNYKNDTKIIFGKDNYSEIGKNIKIFSKKTPKILLHYEADGELIKKLG
IYEKVISSLKEFDIEFIELGGVVPNPRLSLVYEGIKICKEENITFILAVG
GASVIDSAKAISLGAVDNGDVWDFFTAKRIPQDTLGIGVVLTIPGAGSEM
SESSIITDENKKQKAVCDTEVNFPKFAILNPEVCYTIPDRLMAAGIVDIL
SHLMERYFTKSIDTALSDSLIEATMKIVIKYGPLLMKDRKNYNYCSQIMW
AATMAHNGMIACGRVADWASHRIEHEISGIYDLTHGIGMAIIFPAWMKYT
KNIRPQIFEKFFKEVFNTVNIDEGINKLEEFFKSLGINLKLSDYGITEEY
FSLMAEKALGNSETLGRFMQLNKQDIINILNLAK

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 8i29 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8i29 Crystal structure of butanol dehydrogenase A (YqdH) in complex with 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:8i29, PDBe:8i29, PDBj:8i29
• PDBsum: 8i29
• UniProt: Q8R612