Structure of PDB 8jjr Chain J Binding Site BS13

Receptor Information

>8jjr Chain J (length=173) Species: 2950 (Symbiodinium sp.)

FEGELGVQAPVGYFDPLGLSKDGDVETFRRRRESELKNGRVAMFATIGYM
VPEYFKFPGYLAPSASLKFADVPNGIQAITKVPAEGWLQWVALCGCYELC
VNQPVDAADPGNYGKGKLGYGNMVLGITAESISDPEARKRGLNSELANGR
LAMMAIMGLWVQDGLFGTPYGLY

Ligand information

• Ligand ID: PID
• InChI: InChI=1S/C39H50O7/c1-26(16-17-33-35(4,5)24-32(44-28(3)40)25-37(33,8)43)14-12-10-11-13-15-27(2)20-31-21-29(34(42)45-31)18-19-39-36(6,7)22-30(41)23-38(39,9)46-39/h10-16,18-21,30,32,41,43H,22-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,31-20-/t17-,30-,32-,37+,38+,39-/m0/s1
• InChIKey: UYRDHEJRPVSJFM-FROCQLDGSA-N
• SMILES:
  CACTVS 3.341: CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3(C)C[CH](O)CC4(C)C)[C](C)(O)C1
  OpenEye OEToolkits 1.5.0: CC(=CC=CC=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(C)C
  OpenEye OEToolkits 1.5.0: CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C
  ACDLabs 10.04: O=C(OC4CC(\C(=C=C\C(=C\C=C\C=C\C=C(\C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)CC2(C)C)C)C)C(O)(C)C4)(C)C)C
  CACTVS 3.341: CC(=O)O[C@H]1CC(C)(C)[C](=[C@]=[CH]/C(C)=C/C=C/C=C/C=C(C)/C=C/2OC(=O)C(=C/2)/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)[C@](C)(O)C1
• Formula: C39 H50 O7
• Name: PERIDININ
• PDB chain: 8jjr Chain J Residue 615

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8jjr Architecture of symbiotic dinoflagellate photosystem I-light-harvesting supercomplex in Symbiodinium.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): M80 Y84 L148 Y200 Y203
• Binding residue (residue number reindexed from 1): M50 Y54 L118 Y170 Y173
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0009765 photosynthesis, light harvesting

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8jjr, PDBe:8jjr, PDBj:8jjr
• PDBsum: 8jjr
• PubMed: 38493166
• UniProt: A0AA36N2P9