Structure of PDB 8a1v Chain B Binding Site BS05

Receptor Information

>8a1v Chain B (length=395) Species: 666 (Vibrio cholerae)

HEKWFALYEAAATLFYTPGLVTKRSSHVRDSVDLKRIMIMVWLAVFPAMF
WGMYNAGGQAIAALNHLYSGDQLAAIVAGNWHYWLTEMLGGTMSSDAGWG
SKMLLGATYFLPIYATVFIVGGFWEVLFCMVRKHEVNEGFFVTSILFALI
VPPTLPLWQAALGITFGVVVAKEVFGGTGRNFLNPALAGRAFLFFAYPAQ
ISGDLVWTAADGYSGATALSQWAQGGAGALINNATGQTITWMDAFIGNIP
GSIGEVSTLALMIGAAFIVYMGIASWRIIGGVMIGMILLSTLFNVIGSDT
NAMFNMPWHWHLVLGGFAFGMFFMATDPVSASFTNSGKWAYGILIGVMCV
LIRVVNPAYPEGMMLAILFANLFAPLFDHVVVERNIKRRLARYGK

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: 8a1v Chain B Residue 608

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8a1v Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
• Resolution: 2.73 Å
• Binding residue (original residue number in PDB): I371 R372 V373 V374 N375 P376 Y378
• Binding residue (residue number reindexed from 1): I352 R353 V354 V355 N356 P357 Y359
• 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:8a1v, PDBe:8a1v, PDBj:8a1v
• PDBsum: 8a1v
• PubMed: 37710014
• UniProt: A5F5X0|NQRB_VIBC3 Na(+)-translocating NADH-quinone reductase subunit B (Gene Name=nqrB)