Structure of PDB 8j6z Chain 3 Binding Site BS03

Receptor Information
>8j6z Chain 3 (length=218) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPLWFASSQSLSYLDGSLPGDYGFDPLGLSDPEGTGGFIEPRWLAYGEII
NGRFAMLGAAGAIAPEILGKAGLIPAETALPWFQTGVIPPAGTYTYWADN
YTLFVLEMALMGFAEHRRLQDWYNPGSMGKQYFLGLEKGLAGSGNPAYPG
GPFFNPLGFGKDEKSLKELKLKEVKNGRLAMLAILGYFIQGLVTGVGPYQ
NLLDHLADPVNNNVLTSL
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 chain8j6z Chain 3 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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PDB8j6z Cryo-EM structure of the Arabidopsis thaliana photosystem I(PSI-LHCII-ST2)
Resolution2.79 Å
Binding residue
(original residue number in PDB)		W95 Y98 G99 I102 F106 M160 M163 G164 E167 R170 L171
Binding residue
(residue number reindexed from 1)		W43 Y46 G47 I50 F54 M108 M111 G112 E115 R118 L119
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0005515 protein binding
GO:0016168 chlorophyll binding
GO:0019904 protein domain specific binding
GO:0046872 metal ion binding
Biological Process
GO:0009409 response to cold
GO:0009644 response to high light intensity
GO:0009645 response to low light intensity stimulus
GO:0009765 photosynthesis, light harvesting
GO:0009768 photosynthesis, light harvesting in photosystem I
GO:0015979 photosynthesis
Cellular Component
GO:0005634 nucleus
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009534 chloroplast thylakoid
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0010287 plastoglobule
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8j6z, PDBe:8j6z, PDBj:8j6z
PDBsum8j6z
PubMed37936349
UniProtQ9SY97|LHCA3_ARATH Photosystem I chlorophyll a/b-binding protein 3-1, chloroplastic (Gene Name=LHCA3)

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