Structure of PDB 8hg3 Chain S Binding Site BS08

Receptor Information
>8hg3 Chain S (length=202) Species: 70448 (Ostreococcus tauri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADIYPEFGTYPGGGESPIIPFGSEKNAEREVIHGRWAMLGVTGAWAAENG
TGIPWFTAGTLCTPDDCTAVADKFPGAVAPLAPEGSGYPSFWNVLIIEIV
LVGAAEAYRTGISDSPFDDGLTVGDVNPGGRFDPLGLAESGDLEELKIKE
LKHCRLSMFAWLGCIFQALATQEGPIANWQSHVADPVHSNVLTNAAKGFG
FY
Ligand information
Ligand IDKC2
InChIInChI=1S/C35H30N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-14,31H,1-2H2,3-7H3,(H3,36,37,38,39,40,41,42);/q;+2/p-2/b11-10+,22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-;/t31-;/m1./s1
InChIKeyQDRBYWCRXZZVLY-QIEHNWLWSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c2cc3nc(c4c5c(c(c6n5[Mg]n2c(c1C=C)cc7nc(c6)C(=C7C)C=C)C)C(=O)C4C(=O)OC)C(=C3C)C=CC(=O)O
CACTVS 3.385COC(=O)[C@H]1C(=O)c2c(C)c3/C=C/4N=C(/C=C5\[N@]\6[Mg]n3c2/C1=C/7N=C(\C=C\6C(=C5C=C)C)C(=C/7/C=C/C(O)=O)C)C(=C/4C=C)C
OpenEye OEToolkits 2.0.6Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O
CACTVS 3.385COC(=O)[CH]1C(=O)c2c(C)c3C=C4N=C(C=C5[N]6[Mg]n3c2C1=C7N=C(C=C6C(=C5C=C)C)C(=C7C=CC(O)=O)C)C(=C4C=C)C
ACDLabs 12.01N16C=3C(=C(C1=CC=7C(=C(C(=Cc2n(c5c(c2C)C(C(C(=O)OC)C5=C4C(=C(C(C=3)=N4)C)\C=C\C(=O)O)=O)[Mg]6)N=7)\C=C)C)\C=C)C
FormulaC35 H28 Mg N4 O5
NameChlorophyll c2
ChEMBL
DrugBank
ZINC
PDB chain8hg3 Chain S Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hg3 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)		K56 R60 I63 H64 W67 E137 R140 T141
Binding residue
(residue number reindexed from 1)		K25 R29 I32 H33 W36 E106 R109 T110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll binding
Biological Process
GO:0009416 response to light stimulus
GO:0009765 photosynthesis, light harvesting
GO:0009768 photosynthesis, light harvesting in photosystem I
GO:0015979 photosynthesis
Cellular Component
GO:0009507 chloroplast
GO:0009522 photosystem I
GO:0009523 photosystem II
GO:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8hg3, PDBe:8hg3, PDBj:8hg3
PDBsum8hg3
PubMed36951548
UniProtQ3B9U7

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