Structure of PDB 8k9e Chain F Binding Site BS03

Receptor Information
>8k9e Chain F (length=397) Species: 324602 (Chloroflexus aurantiacus J-10-fl) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPQLGQVQMLGLAAAVIGIGVLAAGYFLSPTSFFESYIYGYYVAMTIPLG
CLGFLMVQHLTGGAWGVTVRRMLEAGAATLPIMGLLFIPIALGYFDTYKA
LGLEHPLYEWANPEVVTPGGAEFDPIIAHKVPWLSPLWVTARIAIFFIIW
SALALTLRAWSRQQDAGGDAKKLATRMRRLSGIGVALFVITVTFFSFDVA
MSLDPHWFSTIYGAHYMANAGLMTLAFLALMMSRVRDAALFREYVSVKPI
HDIGKLIFAFTVLWTYMSYGQLVIIWSGDVAEFTPWYVHRTQHGWVFVAL
ALMLFAFALPFFVLLFRGTKRNLNTLATIAGWIVVMRFVDMAWIILPEFR
EHLWDIAITDVAAPIGLIGLVIALFAANVQQAPLLPLRDPNMEQLQN
Ligand information
Ligand IDJM9
InChIInChI=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
InChIKeyFXZBBNDITVPQLC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
FormulaC48 H92 O6
Name1,3-bis(13-methyltetradecanoyloxy)propan-2-yl pentadecanoate
ChEMBL
DrugBank
ZINC
PDB chain8k9e Chain F Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8k9e Cryo-EM structure of HQNO-bound Alternative Complex III from the anoxygenic phototrophic bacterium Chloroflexus aurantiacus.
Resolution3.33 Å
Binding residue
(original residue number in PDB)		F268 V272 Y276 F321 R327
Binding residue
(residue number reindexed from 1)		F258 V262 Y266 F311 R317
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:8k9e, PDBe:8k9e, PDBj:8k9e
PDBsum8k9e
PubMed38299372
UniProtA9WEV7

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