Structure of PDB 8hju Chain M Binding Site BS04

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 701 [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)		L538 M541 H542 A571 W575 M579 W581 A583 I588 W591
Binding residue
(residue number reindexed from 1)		L204 M207 H208 A237 W241 M245 W247 A249 I254 W257
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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