Structure of PDB 8k5o Chain M Binding Site BS08

Receptor Information
>8k5o Chain M (length=318) Species: 1052 (Halorhodospira halochloris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEYQNVFTRVQVRGPAEQGLEVPGGSWNRVGRPRFSYLLGKIGDAQVGPI
YLGATGVVASLGFLIFCLMVGFNWLAAVDWSVREVFRQFWWLAVEVPPPE
YGLRIPPFNDGGWFLWGLAICSLSLLMWWARTYIRARALGLGTHVAWAFA
AALWFYFIITIIRPVAIGSWDESLPIGMFAHLDWLVAISERYGNFYYNPF
HMLSIAFCFGSALLFAAHGATILATGRYNSEREIEQITDRGTGSERAALF
WRWTMGFNATMESIHRWGYWMAILVPLVASIGLFLSGTVIESWYEWGLKH
NLVPIYEELSDPARNPAA
Ligand information
Ligand IDMQ8
InChIInChI=1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3/b39-22+,40-24+,41-26-,42-28+,43-30+,44-32+,45-36+
InChIKeyLXKDFTDVRVLXFY-ACMRXAIVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
CACTVS 3.341CC(C)=CCC/C(C)=C/CCC(/C)=C/CCC(\C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CCC=C(C)CC\C=C(/C)\CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
FormulaC51 H72 O2
NameMENAQUINONE 8;
2-METHYL-3-(3,7,11,15,19,23,27,31-OCTAMETHYL-DOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL)-[1,4]NAPTHOQUINONE
ChEMBL
DrugBank
ZINCZINC000098209186
PDB chain8k5o Chain M Residue 705 [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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PDB8k5o Structural insights into the unusual core photocomplex from a triply extremophilic purple bacterium, Halorhodospira halochloris.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		L214 L215 H219 T222 A248 W252 M256 F258 N259 A260 T261 M262 I265 W268
Binding residue
(residue number reindexed from 1)		L213 L214 H218 T221 A247 W251 M255 F257 N258 A259 T260 M261 I264 W267
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042314 bacteriochlorophyll binding
GO:0046872 metal ion binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0016020 membrane
GO:0042717 plasma membrane-derived chromatophore membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k5o, PDBe:8k5o, PDBj:8k5o
PDBsum8k5o
PubMed38411333
UniProtA0A0X8X847

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