Structure of PDB 8ew3 Chain D Binding Site BS01

Receptor Information

>8ew3 Chain D (length=202) Species: 345073 (Vibrio cholerae O395)

KKSVLAPVLDNNPIALQVLGVCSALAVTTKLETAFVMTLAVMFVTALSNF
FVSLIRNHIPNSVRIIVQMAIIASLVIVVDQILKAYLYDISKQLSVFVGL
IITNCIVMGRAEAFAMKSEPIPSFIDGIGNGLGYGFVLMTVGFFRELLGS
GKLFGLEVLPLISNGGWYQPNGLMLLAPSAFFLIGFMIWAIRTFKPEQVE
AK

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: 8ew3 Chain E Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ew3 Novel cofactor binding motifs, electron transfer and ion pumping mechanisms of the respiratory complex NQR
• Resolution: 2.65159 Å
• Binding residue (original residue number in PDB): G27 C29 C112
• Binding residue (residue number reindexed from 1): G20 C22 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:8ew3, PDBe:8ew3, PDBj:8ew3
• PDBsum: 8ew3
• UniProt: A5F5Y6|NQRD_VIBC3 Na(+)-translocating NADH-quinone reductase subunit D (Gene Name=nqrD)