Structure of PDB 8hju Chain M Binding Site BS08

Receptor Information
>8hju Chain M (length=306) Species: 383372 (Roseiflexus castenholzii DSM 13941) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIDLHDEEYRDGLEGTIAKPPGHVGWMQRLLGEGQVGPIYVGLWGVISFI
TFFASAFIILVDYGRQVGWNPIIYLREFWNLAVYPPPTEYGLSWNVPWDK
GGAWLAATFFLHISVLTWWARLYTRAKATGVGTQLAWGFASALSLYFVIY
LFHPLALGNWSAAPGHGFRAILDWTNYVSIHWGNFYYNPFHMLSIFFLLG
STLLLAMHGATIVATSKWKSEMEFTEMMAEGPGTQRAQLFWRWVMGWNAN
SYNIHIWAWWFAAFTAITGAIGLFLSGTLVPDWYAWGETAKIVAPWPNPD
WAQYVF
Ligand information
Ligand IDMQE
InChIInChI=1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3/b51-28+,52-30+,53-32+,54-34+,55-36+,56-38+,57-40+,58-42+,59-44+,60-48+
InChIKeyYYDMANIEKFAEJC-RYZSZPJESA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(\C(=C\CC/C(C)=C/CC\C(=C\CC\C(=C\CC/C(C)=C/CC1=C(C(c2c(C1=O)cccc2)=O)C)C)C)C)C/C=C(/CC\C=C(\CC/C=C(/CC\C=C(\CC\C=C(\CC\C=C(\C)C)C)C)C)C)C
OpenEye OEToolkits 2.0.6CC1=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)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 2.0.6CC1=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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
CACTVS 3.385CC(C)=CCC/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/CC1=C(C)C(=O)c2ccccc2C1=O
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
FormulaC66 H96 O2
Name2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione;
Menaquinone 11
ChEMBL
DrugBank
ZINCZINC000150341901
PDB chain8hju 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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PDB8hju Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y397 H500 G501 F502
Binding residue
(residue number reindexed from 1)		Y63 H166 G167 F168
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0045156 electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity
Biological Process
GO:0009772 photosynthetic electron transport in photosystem II
GO:0019684 photosynthesis, light reaction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8hju, PDBe:8hju, PDBj:8hju
PDBsum8hju
PubMed37737710
UniProtA7NQE8

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