Structure of PDB 8iug Chain L Binding Site BS04

Receptor Information
>8iug Chain L (length=286) Species: 120962 (Roseiflexus castenholzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAEVIPFSIIEEFYKRPGKTLAARFFGVDPFDFWIGRFYVGLFGAISIIG
IILGVAFYLYEGVVNEGTLNILAMRIEPPPVSQGLNVDPAQPGFFWFLTM
VAATIAFVGWLLRQIDISLKLDMGMEVPIAFGAVVSSWITLQWLRPIAMG
AWGHGFPLGITHHLDWVSNIGYQYYNFFYNPFHAIGITLLFASTLFLHMH
GSAVLSEAKRNISDQNIHVFWRNILGYSIGEIGIHRVAFWTGAASVLFSN
LCIFLSGTFVKDWNAFWGFWDKMPIWNGVGQGALVA
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 chain8iug Chain L Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iug New insights on the photocomplex of Roseiflexus castenholzii revealed from comparisons of native and carotenoid-depleted complexes.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		M228 H229 W250 Y256 S257 I258 G259 V266
Binding residue
(residue number reindexed from 1)		M199 H200 W221 Y227 S228 I229 G230 V237
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016168 chlorophyll 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

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8iug, PDBe:8iug, PDBj:8iug
PDBsum8iug
PubMed37468106
UniProtQ83XD0

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