Structure of PDB 7pi0 Chain S Binding Site BS18

Receptor Information

>7pi0 Chain S (length=243) Species: 3046 (Dunaliella salina)

PDLEKWYGPDRKLFLPGGLLDRDDVPEYLNGELAGDYGYDPLGLGKDEEQ
VEKYRANELLHARWAMLAAAGIIIPEGLQANGADIKGGTWFETGAEMLNG
GTLNYFAVPFGVVQNPLPLAAVTLIEIVLLGAVEKFRVDGTGPAGFSPGV
GKFDSDIFDGLDKLYPGGPFDPLNLADDPEVFAELQVKEIKNGRLAMIAV
LAFAIQSYVTGEGPYANITKHLSDPFGYNLLTVLQGDDRVPTL

Ligand information

• Ligand ID: LPX
• InChI: InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m0/s1
• InChIKey: YVYMBNSKXOXSKW-FQEVSTJZSA-N
• SMILES:
  ACDLabs 10.04: O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O
  OpenEye OEToolkits 1.5.0: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
  CACTVS 3.341: CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P@@](O)(=O)OCCN
  CACTVS 3.341: CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCCN
• Formula: C21 H44 N O7 P
• Name: (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
• ZINC: ZINC000032840705
• PDB chain: 7pi0 Chain S Residue 625

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7pi0 Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
• Resolution: 2.43 Å
• Binding residue (original residue number in PDB): L268 S269
• Binding residue (residue number reindexed from 1): L222 S223
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0009765 photosynthesis, light harvesting

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:7pi0, PDBe:7pi0, PDBj:7pi0
• PDBsum: 7pi0
• PubMed: 36799903
• UniProt: G4WUW1