Structure of PDB 8j9i Chain N4 Binding Site BS01

Receptor Information
>8j9i Chain N4 (length=478) Species: 3039 (Euglena gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIYKIIILRYISILIIMIIQLMKMYNKEYRLISIISIISILSIMNWPQSI
KEINIYIINLIIGYEINLSYNYIGIYMSLILDILIWISILYERYYIKNNN
TYNIIIYYIINNIFFSSNDIITISLIYEFQTIPLLLIINNSYNKINIYNK
KGIGISNILLILYSIISGLLLYNSMYNIYLLNHTSNISHNINILNYSYNH
ILINYILINILISGSMKLSIFPFHIWLGKVHVEAPTIGSILLAGISLKTG
FYLHYLFIYLYQYIYINYLIYFIYILFIGIIINNINIFYQIDTKRWIALY
SIIHMNLYYIIMLILLISNNNNLYYIIFINILIYGMIGHSLISGGLFLII
GYIYDITNNKNLYLINNNIISSYIYFILLLLLLANSSFPLFVLFIFELLA
FTSLSIFNILLSIFLLILSCSNLLSSLYIYYKYFYTHYYSPIITFTSFDF
ILIILAIPILIIIILMGFNLLLPIHFLI
Ligand information
Ligand IDU10
InChIInChI=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+
InChIKeyACTIUHUUMQJHFO-UPTCCGCDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=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 3.341COC1=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 10.04O=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 3.341COC1=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 1.5.0CC1=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
FormulaC59 H90 O4
NameUBIQUINONE-10;
Coenzyme Q10
ChEMBLCHEMBL454801
DrugBankDB09270
ZINCZINC000085427689
PDB chain8j9i Chain N4 Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j9i Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Resolution2.87 Å
Binding residue
(original residue number in PDB)		Y25 N26 R93 Y94 Y95 N99 T101 Y102
Binding residue
(residue number reindexed from 1)		Y25 N26 R93 Y94 Y95 N99 T101 Y102
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0048039 ubiquinone binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0042773 ATP synthesis coupled electron transport
Cellular Component
GO:0005739 mitochondrion
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8j9i, PDBe:8j9i, PDBj:8j9i
PDBsum8j9i
PubMed38388527
UniProtA0A0S2YRV6

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