Structure of PDB 8gym Chain n5 Binding Site BS02

Receptor Information
>8gym Chain n5 (length=709) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LFLLFFIVNLYWFNSGLIFFNSVYKIHHDAWTLIFQTDSILNKLKIYFFL
LPLYISSFIHSISTWYYNYILNFLLFSENLNTNTNFVDYITYNTLLLSKF
EDFNLFVYIKTLLITFDIRQINLDFLNEYPIILLTGLLFLFTTIFSLICL
SYLGLYGVFILNLASILLFWLSMLYYFNLIVSENYYYYISLGKWMYLSNG
FRVSFDLLIDLTSISFSFLTLTIGVFVYIYTFSYFRYEPLVERLILFLNS
FMISMILLVSSGNFIVLFLGWELIGLTSFFLINFWSTRVGTLKAAFKAFS
FNKLSDLFLFFAILIIFSTTYNLDILSFNNQIYLYESYNIDMFYWSINLI
EIISFFFISCAFIKSAQFGAHIWLPDSMEAPVPASALIHSATLVSAGIYL
LLRLSPLFELSKYAYFILPLIGSVTAFYGGLVSAFQSDTKKTLAYSTISH
CGFLMVSYSTGVLEFVILYLYVHGFFKAATFLCVGNVNRFNRNIQDFKRM
GGFYKYLPFECLASFVCMINLSGLPLTLGFYIKHLLFIGLVESYTLYPLI
FSSLILGAIAGVFYSYRLFYSIFFDTKKGKKAIYLQASRIILNSKFYSNT
SLASNLSITFLVLISYTVILYLYCTTLNNYYSLSDLKSIYINNAYSYFYK
PDYNFLNAVSILNWFVIILLISVIYLNWRWSYYYTKSIDSLSKFILFSFF
FFIFSKYIL
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 chain8gym Chain b8 Residue 301 [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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PDB8gym Structures of Tetrahymena thermophila respiratory megacomplexes on the tubular mitochondrial cristae.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		F409 T586 P589 L590
Binding residue
(residue number reindexed from 1)		F368 T545 P548 L549
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.5.3: Transferred entry: 7.1.1.2.
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0015990 electron transport coupled proton transport
GO:0042773 ATP synthesis coupled electron transport
Cellular Component
GO:0005739 mitochondrion
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gym, PDBe:8gym, PDBj:8gym
PDBsum8gym
PubMed37248254
UniProtQ950Z0

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