Structure of PDB 7blz Chain 1 Binding Site BS12

Receptor Information

>7blz Chain 1 (length=173) Species: 280699 (Cyanidioschyzon merolae strain 10D)

QSPALPFLSKPPNLSPDMPGYRGFDPLRFSDAFDVNWLQEGEIKNGRVAM
LACLHFFVTEFYQFPFFAGAPKLAGPAHDYFVKSGAMIQILAFIGFLEFL
LHRGKVLYSDMEWKGRKPGELGFNPLNLPNDKAMRDREVNNGRLAMLGFA
GIIHGEFLNGKMPFEQITNFQPL

Ligand information

• Ligand ID: C7Z
• InChI: InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
• InChIKey: JKQXZKUSFCKOGQ-ANDPMPNWSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C
  CACTVS 3.385: CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
  CACTVS 3.385: CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\C2=C(C)C[C@H](O)CC2(C)C
  OpenEye OEToolkits 2.0.6: CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C[C@@H](CC2(C)C)O)C)\C)\C)/C)/C
• Formula: C40 H56 O2
• ZINC: ZINC000086007157
• PDB chain: 7blz Chain 1 Residue 612

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7blz Red alga C.merolae Photosystem I
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): M51 L52 L55 F58 F124 P126 L127 A146 G149 I153 P164
• Binding residue (residue number reindexed from 1): M50 L51 L54 F57 F123 P125 L126 A145 G148 I152 P163
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0009765 photosynthesis, light harvesting

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:7blz, PDBe:7blz, PDBj:7blz
• PDBsum: 7blz
• UniProt: M1VKK5