Structure of PDB 8q25 Chain H Binding Site BS01

Receptor Information
>8q25 Chain H (length=318) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFMINILMLIIPILLAVAFLTLVERKVLGYMQLRKGPNVVGPYGLLQPIA
DAIKLFIKEPLRPATSSASMFILAPIMALGLALTMWIPLPMPYPLINMNL
GVLFMLAMSSLAVYSILWSGWASNSKYALIGALRAVAQTISYEVTLAIIL
LSVLLMSGSFTLSTLITTQEQMWLILPAWPLAMMWFISTLAETNRAPFDL
TEGESELVSGFNVEYAAGPFALFFMAEYANIIMMNIFTAILFLGTSHNPH
MPELYTINFTIKSLLLTMSFLWIRASYPRFRYDQLMHLLWKNFLPLTLAL
CMWHVSLPILTSGIPPQT
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 chain8q25 Chain H Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q25 Structure of complex I embedded in liposomes reveals mechanism of active/deactive transition
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L14 A18 P48 D51 F224 M225
Binding residue
(residue number reindexed from 1)		L14 A18 P48 D51 F224 M225
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
Biological Process
GO:0009060 aerobic respiration
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner 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:8q25, PDBe:8q25, PDBj:8q25
PDBsum8q25
PubMed38870289
UniProtP03887|NU1M_BOVIN NADH-ubiquinone oxidoreductase chain 1 (Gene Name=MT-ND1)

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