Structure of PDB 7pi5 Chain S Binding Site BS08

Receptor Information
>7pi5 Chain S (length=242) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLEKWYGPDRKLFLPGGLLDRDDVPEYLNGELAGDYGYDPLGLGKDEEQV
EKYRANELLHARWAMLAAAGIIIPEGLQANGADIKGGTWFETGAEMLNGG
TLNYFAVPFGVVQNPLPLAAVTLIEIVLLGAVEKFRVDGTGPAGFSPGVG
KFDSDIFDGLDKLYPGGPFDPLNLADDPEVFAELQVKEIKNGRLAMIAVL
AFAIQSYVTGEGPYANITKHLSDPFGYNLLTVLQGDDRVPTL
Ligand information
Ligand IDCHL
InChIInChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+4/p-1/b34-25+;/t32-,33-,36?,40?,51-;/m1./s1
InChIKeyMWVCRINOIIOUAU-UYSPMESUSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C=O
OpenEye OEToolkits 2.0.7CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O
CACTVS 3.385CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
CACTVS 3.385CCC1=C(C=O)C2=Cc3n4c(C=C5[C@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N@+]5[Mg]47[N@@]8C(=CC1=[N@+]27)C(=C9C(=O)[C@H](C(=O)OC)C6=C89)C)c(C)c3C=C
FormulaC55 H70 Mg N4 O6
NameCHLOROPHYLL B
ChEMBL
DrugBank
ZINC
PDB chain7pi5 Chain S Residue 607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7pi5 Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Resolution2.78 Å
Binding residue
(original residue number in PDB)		F137 E138 G140 A141 L144 E172
Binding residue
(residue number reindexed from 1)		F90 E91 G93 A94 L97 E125
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009765 photosynthesis, light harvesting
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7pi5, PDBe:7pi5, PDBj:7pi5
PDBsum7pi5
PubMed36799903
UniProtA0A7S3VRZ8

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