Structure of PDB 1aig Chain O Binding Site BS07
Receptor Information
>1aig Chain O (length=299) Species:
1063
(Cereibacter sphaeroides) [
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YQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFGNAQLGPIYL
GSLGVLSLFSGLMWFFTIGIWFWYQAGWNPAVFLRDLFFFSLEPPAPEYG
LSFAAPLKEGGLWLIASFFMFVAVWSWWGRTYLRAQALGMGKHTAWAFLS
AIWLWMVLGFIRPILMGSWSEAVPYGIFSHLDWTNNFSLVHGNLFYNPFH
GLSIAFLYGSALLFAMHGATILAVSRFGGERELEQIADRGTAAERAALFW
RWTMGFNATMEGIHRWAIWMAVLVTLTGGIGILLSGTVVDNWYVWGQNH
Ligand information
Ligand ID
U10
InChI
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+
InChIKey
ACTIUHUUMQJHFO-UPTCCGCDSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341
COC1=C(OC)C(=O)C(=C(C)C1=O)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)CC\C=C(/C)CCC=C(C)C
ACDLabs 10.04
O=C1C(=C(C(=O)C(OC)=C1OC)C)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)CC\C=C(/C)CC\C=C(/C)C
CACTVS 3.341
COC1=C(OC)C(=O)C(=C(C)C1=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)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 1.5.0
CC1=C(C(=O)C(=C(C1=O)OC)OC)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)\CC\C=C(/C)\CCC=C(C)C
Formula
C59 H90 O4
Name
UBIQUINONE-10;
Coenzyme Q10
ChEMBL
CHEMBL454801
DrugBank
DB09270
ZINC
ZINC000085427689
PDB chain
1aig Chain O Residue 311 [
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Receptor-Ligand Complex Structure
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PDB
1aig
Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
M218 H219 T222 A248 A249 W252 M256 F258 N259 A260 T261 I265 W268
Binding residue
(residue number reindexed from 1)
M216 H217 T220 A246 A247 W250 M254 F256 N257 A258 T259 I263 W266
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0042314
bacteriochlorophyll binding
GO:0045156
electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
GO:0046872
metal ion binding
Biological Process
GO:0009772
photosynthetic electron transport in photosystem II
GO:0015979
photosynthesis
GO:0019684
photosynthesis, light reaction
Cellular Component
GO:0016020
membrane
GO:0030077
plasma membrane light-harvesting complex
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:1aig
,
PDBe:1aig
,
PDBj:1aig
PDBsum
1aig
PubMed
9115209
UniProt
P0C0Y9
|RCEM_CERSP Reaction center protein M chain (Gene Name=pufM)
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