Structure of PDB 8a1t Chain B Binding Site BS03

Receptor Information

>8a1t Chain B (length=392) Species: 666 (Vibrio cholerae)

WFALYEAAATLFYTPGLVTKRSSHVRDSVDLKRIMIMVWLAVFPAMFWGM
YNAGGQAIAALNHLYSGDQLAAIVAGNWHYWLTEMLGGTMSSDAGWGSKM
LLGATYFLPIYATVFIVGGFWEVLFCMVRKHEVNEGFFVTSILFALIVPP
TLPLWQAALGITFGVVVAKEVFGGTGRNFLNPALAGRAFLFFAYPAQISG
DLVWTAADGYSGATALSQWAQGGAGALINNATGQTITWMDAFIGNIPGSI
GEVSTLALMIGAAFIVYMGIASWRIIGGVMIGMILLSTLFNVIGSDTNAM
FNMPWHWHLVLGGFAFGMFFMATDPVSASFTNSGKWAYGILIGVMCVLIR
VVNPAYPEGMMLAILFANLFAPLFDHVVVERNIKRRLARYGK

Ligand information

• Ligand ID: NA
• InChI: InChI=1S/Na/q+1
• InChIKey: FKNQFGJONOIPTF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Na+]
• Formula: Na
• Name: SODIUM ION
• DrugBank: DB14516
• PDB chain: 8a1t Chain B Residue 507

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): A263 V275 T277 V332
• Binding residue (residue number reindexed from 1): A241 V253 T255 V310
• Annotation score: 5

Enzymatic activity

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

Gene Ontology

Molecular Function

• GO:0010181 FMN binding
• GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
• GO:1902444 riboflavin binding

Biological Process

• GO:0006814 sodium ion transport
• GO:0022904 respiratory electron transport chain
• GO:0055085 transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:8a1t, PDBe:8a1t, PDBj:8a1t
• PDBsum: 8a1t
• PubMed: 37710014
• UniProt: A5F5X0|NQRB_VIBC3 Na(+)-translocating NADH-quinone reductase subunit B (Gene Name=nqrB)