Structure of PDB 8acy Chain E Binding Site BS02

Receptor Information

>8acy Chain E (length=197) Species: 666 (Vibrio cholerae)

EHYISLLVKSIFIENMALSFFLGMCTFLAVSKKVKTSFGLGIAVIVVLTI
SVPVNNLVYNLVLKPDALVEGVDLSFLNFITFIGVIAALVQILEMILDRF
FPPLYNALGIFLPLITVNCAIFGGVSFMVQRDYSFAESVVYGFGSGVGWM
LAIVALAGIREKMKYSDVPPGLRGLGITFITAGLMALGFMSFSGVQL

Ligand information

• Ligand ID: FES
• InChI: InChI=1S/2Fe.2S
• InChIKey: NIXDOXVAJZFRNF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: [Fe]1S[Fe]S1
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: S1[Fe]S[Fe]1
• Formula: Fe2 S2
• Name: FE2/S2 (INORGANIC) CLUSTER
• PDB chain: 8acy Chain E Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8acy Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
• Resolution: 3.5 Å
• Binding residue (original residue number in PDB): G24 C26 N119 C120
• Binding residue (residue number reindexed from 1): G23 C25 N118 C119
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.2.1.1: NADH:ubiquinone reductase (Na(+)-transporting).

Gene Ontology

Molecular Function

• GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor

Biological Process

• GO:0006814 sodium ion transport
• GO:0022904 respiratory electron transport chain

Cellular Component

• GO:0005886 plasma membrane
• GO:0009276 Gram-negative-bacterium-type cell wall
• GO:0016020 membrane

External links

• PDB: RCSB:8acy, PDBe:8acy, PDBj:8acy
• PDBsum: 8acy
• PubMed: 37710014
• UniProt: A5F5Y5|NQRE_VIBC3 Na(+)-translocating NADH-quinone reductase subunit E (Gene Name=nqrE)