Structure of PDB 6zxa Chain I Binding Site BS07

Receptor Information

>6zxa Chain I (length=69) Species: 765910 (Marichromatium purpuratum 984)

KVPVMMADESIATINHPEDDWKIWTVINPATWMVPFFGILFVQMWLIHSY
ALSLPGYGFKDSVRVAQPA

Ligand information

• Ligand ID: QSE
• InChI: InChI=1S/C41H54O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-28H,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+
• InChIKey: FSQZIFSGNDUYRQ-TYKRLFMMSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: Cc1ccc(c(c1C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)C)C
  CACTVS 3.385: COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C
  CACTVS 3.385: COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C)c1C
  OpenEye OEToolkits 2.0.7: Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C
• Formula: C41 H54 O2
• Name: all-trans okenone
• ZINC: ZINC000056874224
• PDB chain: 6zxa Chain M Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zxa The 2.4 angstrom cryo-EM structure of a heptameric light-harvesting 2 complex reveals two carotenoid energy transfer pathways.
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): M45 H49 L53
• Binding residue (residue number reindexed from 1): M44 H48 L52
• Annotation score: 1

External links

• PDB: RCSB:6zxa, PDBe:6zxa, PDBj:6zxa
• PDBsum: 6zxa
• PubMed: 33579696
• UniProt: W0E6A1