Structure of PDB 8hg6 Chain X Binding Site BS20

Receptor Information
>8hg6 Chain X (length=196) Species: 70448 (Ostreococcus tauri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IYPEFGTYPGGGESPIIPFGSEKNAEREVIHGRWAMLGVTGAWAAENGTG
IPWFTAGTLCTPDDCTAVADKFPGAPLAPSGYPSFWNVLIIEIVLVGAAE
AYRTGISDSPFDDGLTVGDVNPGGRFDPLGLAESGDLEELKIKELKHCRL
SMFAWLGCIFQALATQEGPIANWQSHVADPVHSNVLTNAAKGFGFY
Ligand information
Ligand IDQ6L
InChIInChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,25,35-37,41-42H,22,24,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-/m0/s1
InChIKeyULGXMGDBVFOYRY-NBTBXAKCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(/CCC1=C(C)C[C@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]2C(=C[C@H](O)CC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=C(C(CC(C1)O)(C)C)CCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C
OpenEye OEToolkits 2.0.7CC1=C(C(C[C@H](C1)O)(C)C)CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C
CACTVS 3.385CC(CCC1=C(C)C[CH](O)CC1(C)C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C
FormulaC40 H58 O2
Name(1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol
ChEMBL
DrugBank
ZINC
PDB chain8hg6 Chain X Residue 319 [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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PDB8hg6 The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Resolution3.44 Å
Binding residue
(original residue number in PDB)		Y35 E37 F38 F190 V218 N221 L223
Binding residue
(residue number reindexed from 1)		Y2 E4 F5 F153 V181 N184 L186
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:8hg6, PDBe:8hg6, PDBj:8hg6
PDBsum8hg6
PubMed36951548
UniProtQ3B9U7

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