Structure of PDB 7pi0 Chain S Binding Site BS10

Receptor Information
>7pi0 Chain S (length=243) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDLEKWYGPDRKLFLPGGLLDRDDVPEYLNGELAGDYGYDPLGLGKDEEQ
VEKYRANELLHARWAMLAAAGIIIPEGLQANGADIKGGTWFETGAEMLNG
GTLNYFAVPFGVVQNPLPLAAVTLIEIVLLGAVEKFRVDGTGPAGFSPGV
GKFDSDIFDGLDKLYPGGPFDPLNLADDPEVFAELQVKEIKNGRLAMIAV
LAFAIQSYVTGEGPYANITKHLSDPFGYNLLTVLQGDDRVPTL
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 chain7pi0 Chain S Residue 608 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7pi0 Structure of Dunaliella Photosystem II reveals conformational flexibility of stacked and unstacked supercomplexes.
Resolution2.43 Å
Binding residue
(original residue number in PDB)		R109 W110 V179 F182 R183 G186 T187 G188 F204 F216
Binding residue
(residue number reindexed from 1)		R63 W64 V133 F136 R137 G140 T141 G142 F158 F170
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:7pi0, PDBe:7pi0, PDBj:7pi0
PDBsum7pi0
PubMed36799903
UniProtG4WUW1

[Back to BioLiP]