Structure of PDB 8a1t Chain D Binding Site BS01

Receptor Information

>8a1t Chain D (length=201) Species: 666 (Vibrio cholerae)

KKSVLAPVLDNNPIALQVLGVCSALAVTTKLETAFVMTLAVMFVTALSNF
FVSLIRNHIPNSVRIIVQMAIIASLVIVVDQILKAYLYDISKQLSVFVGL
IITNCIVMGRAEAFAMKSEPIPSFIDGIGNGLGYGFVLMTVGFFRELLGS
GKLFGLEVLPLISNGGWYQPNGLMLLAPSAFFLIGFMIWAIRTFKPEQVE
A

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: 8a1t Chain D Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8a1t Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
• Resolution: 3.37 Å
• Binding residue (original residue number in PDB): G27 C29 N111 C112
• Binding residue (residue number reindexed from 1): G20 C22 N104 C105
• 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

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:8a1t, PDBe:8a1t, PDBj:8a1t
• PDBsum: 8a1t
• PubMed: 37710014
• UniProt: A5F5Y6|NQRD_VIBC3 Na(+)-translocating NADH-quinone reductase subunit D (Gene Name=nqrD)