Structure of PDB 7yca Chain B Binding Site BS21

Receptor Information
>7yca Chain B (length=732) Species: 70448 (Ostreococcus tauri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKFPKFSQGLASDPTTRRIWFGIATAHDFETHDGMTEEKLYQKIFASHF
GQLAIIFLWTSGNLFHVAWQGNFEKWGEDPLHVRPIAHTIWDPHFGQPAV
EAFTRGGASAPVNIAYSGVYQWWYTIGMRTNVDLYNGSLFLLFVAGLFLF
AGWLHLQPTFAPAVSWFKNAESRLNHHLSGLFGVSSLAWTGHLVHVAIPA
SRGETVRWDNFLTTLPHPAGLAPFFTGQWAVYAQNPDTAGHIFGTSEGAG
TAILTFLGGFHPQTQSLWLTDMAHHHLAIAVVFIIAGHQYRTNFGIGHSM
KEILEAHTAPSGRLGAGHTGLFDTVNNSLHFQLGLALASVGVLCSLTAQH
MYSMPPYAFLAQDFTTQAALYSHHQYIAGFIMCGAFAHGAIFFIRDYDPE
ANKGNVLARMLEHKEAIISHLSWVSLFLGFHTLGLYVHNDVMQAFGTPEK
QILIEPVFAQWIQAAQGKALYGFDILLSGDNAATAAGNSIYLPGWLAGIN
SSTNSLFLPIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAWDAFYLAVFWELNTVSWTVFYFHWKHLALW
QGNSAQFDESSTYIMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWMFLF
GHLIYATGFMFLISWRGYWQELIETLVWAHERTPLANFVKWNDKPVALSI
VQARLVGLTHFAVGFVLTYAAFVIASTSGKFG
Ligand information
Ligand IDCLA
InChIInChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain7yca Chain B Residue 815 [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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PDB7yca The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		F47 H50 F51 L54 W123 W167 R174 H177 H178 L182 F183
Binding residue
(residue number reindexed from 1)		F46 H49 F50 L53 W122 W166 R173 H176 H177 L181 F182
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7yca, PDBe:7yca, PDBj:7yca
PDBsum7yca
PubMed36951548
UniProtQ0P3K2|PSAB_OSTTA Photosystem I P700 chlorophyll a apoprotein A2 (Gene Name=psaB)

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