Structure of PDB 1q90 Chain M Binding Site BS01

Receptor Information

>1q90 Chain M (length=34) Species: 3055 (Chlamydomonas reinhardtii)

EAEFIAGTALTMVGMTLVGLAIGFVLLRVESLVE

Ligand information

• Ligand ID: BCR
• InChI: InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
• InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N
• SMILES:
  ACDLabs 10.04: C(/C1=C(CCCC1(C)C)C)=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C2=C(C)CCCC2(C)C)C)C)C)C
  OpenEye OEToolkits 1.5.0: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
  OpenEye OEToolkits 1.5.0: CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C
  CACTVS 3.341: CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)C(C)(C)CCC1
  CACTVS 3.341: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1
• Formula: C40 H56
• Name: BETA-CAROTENE
• ChEMBL: CHEMBL1293
• DrugBank: DB06755
• ZINC: ZINC000006845076
• PDB chain: 1q90 Chain B Residue 904

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1q90 An Atypical Haem in the Cytochrome B6F Complex
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): T77 L81
• Binding residue (residue number reindexed from 1): T16 L20
• Annotation score: 4

Gene Ontology

Cellular Component

• GO:0009512 cytochrome b6f complex

External links

• PDB: RCSB:1q90, PDBe:1q90, PDBj:1q90
• PDBsum: 1q90
• PubMed: 14647374
• UniProt: Q42496|PETM_CHLRE Cytochrome b6-f complex subunit 7, chloroplastic (Gene Name=petM)