Structure of PDB 8k9f Chain F Binding Site BS03

Receptor Information

>8k9f Chain F (length=397) Species: 324602 (Chloroflexus aurantiacus J-10-fl)

IPQLGQVQMLGLAAAVIGIGVLAAGYFLSPTSFFESYIYGYYVAMTIPLG
CLGFLMVQHLTGGAWGVTVRRMLEAGAATLPIMGLLFIPIALGYFDTYKA
LGLEHPLYEWANPEVVTPGGAEFDPIIAHKVPWLSPLWVTARIAIFFIIW
SALALTLRAWSRQQDAGGDAKKLATRMRRLSGIGVALFVITVTFFSFDVA
MSLDPHWFSTIYGAHYMANAGLMTLAFLALMMSRVRDAALFREYVSVKPI
HDIGKLIFAFTVLWTYMSYGQLVIIWSGDVAEFTPWYVHRTQHGWVFVAL
ALMLFAFALPFFVLLFRGTKRNLNTLATIAGWIVVMRFVDMAWIILPEFR
EHLWDIAITDVAAPIGLIGLVIALFAANVQQAPLLPLRDPNMEQLQN

Ligand information

• Ligand ID: JM9
• InChI: InChI=1S/C48H92O6/c1-6-7-8-9-10-11-12-13-18-25-30-35-40-48(51)54-45(41-52-46(49)38-33-28-23-19-14-16-21-26-31-36-43(2)3)42-53-47(50)39-34-29-24-20-15-17-22-27-32-37-44(4)5/h43-45H,6-42H2,1-5H3
• InChIKey: FXZBBNDITVPQLC-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385
  OpenEye OEToolkits 2.0.7: CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
• Formula: C48 H92 O6
• Name: 1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate
• PDB chain: 8k9f Chain F Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8k9f Cryo-EM structure of HQNO-bound Alternative Complex III from the anoxygenic phototrophic bacterium Chloroflexus aurantiacus.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): H261 F268 V272 Y276 F321 L325 F326 R327
• Binding residue (residue number reindexed from 1): H251 F258 V262 Y266 F311 L315 F316 R317
• Annotation score: 1

Gene Ontology

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8k9f, PDBe:8k9f, PDBj:8k9f
• PDBsum: 8k9f
• PubMed: 38299372
• UniProt: A9WEV7