Structure of PDB 6z5s Chain W Binding Site BS02

Receptor Information

>6z5s Chain W (length=94) Species: 258594 (Rhodopseudomonas palustris CGA009)

LLLVLTAIAFVATAVVARVLAASAPEGKLYCQAAGAASMVVGPFITLVAA
FVLGKAGIGGEVLDATAMLRVAALPAFGTLFVGPVVFWFFRRQR

Ligand information

• Ligand ID: CRT
• InChI: InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
• InChIKey: VAZQBTJCYODOSV-RISZBRKMSA-N
• SMILES:
  ACDLabs 10.04: 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(\C=C\C=C(\C=C\CC(OC)(C)C)C)C)C)C)C)C
  OpenEye OEToolkits 1.5.0: CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C=CCC(C)(C)OC
  OpenEye OEToolkits 1.5.0: 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(\C)/C=C/CC(C)(C)OC)\C)\C)/C=CCC(C)(C)OC
  CACTVS 3.341: COC(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/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)OC
  CACTVS 3.341: COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC
• Formula: C42 H60 O2
• Name: SPIRILLOXANTHIN;
  RHODOVIOLASCIN
• ZINC: ZINC000064426309
• PDB chain: 6z5s Chain B Residue 103

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6z5s Structures of Rhodopseudomonas palustris RC-LH1 complexes with open or closed quinone channels.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): E28 Q34
• Binding residue (residue number reindexed from 1): E26 Q32
• Annotation score: 1

Gene Ontology

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6z5s, PDBe:6z5s, PDBj:6z5s
• PDBsum: 6z5s
• PubMed: 33523887
• UniProt: Q6N1K3