Structure of PDB 6zkc Chain H Binding Site BS01

Receptor Information
>6zkc Chain H (length=318) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFMINVLTLIIPILLAVAFLTLVERKVLGYMQFRKGPNVVGPYGLLQPIA
DAIKLFIKEPLRPATSSISMFILAPILALTLALTMWIPLPMPYPLINMNL
GVLFMLAMSSLAVYSILWSGWASNSKYALIGALRAVAQTISYEVTLAIIL
LSVLLMNGSFTLSTLIITQEQVWLIFPAWPLAMMWFISTLAETNRAPFDL
TEGESELVSGFNVEYAAGPFALFFMAEYANIIMMNIFTTTLFLGAFHNPY
MPELYTINFTIKSLLLSITFLWIRASYPRFRYDQLMHLLWKNFLPLTLAL
CMWHVSLPILLSSIPPQT
Ligand information
Ligand IDDCQ
InChIInChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3
InChIKeyVMEGFMNVSYVVOM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)CCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C
CACTVS 3.341CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC
FormulaC19 H30 O4
Name2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione;
decylubiquinone
ChEMBLCHEMBL217894
DrugBankDB07640
ZINCZINC000002575028
PDB chain6zkc Chain H Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zkc The coupling mechanism of mammalian respiratory complex I.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		T21 E24 R25 D51 A52 L55 F224 Y228 R274
Binding residue
(residue number reindexed from 1)		T21 E24 R25 D51 A52 L55 F224 Y228 R274
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:0006120 mitochondrial electron transport, NADH to ubiquinone
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: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:6zkc, PDBe:6zkc, PDBj:6zkc
PDBsum6zkc
PubMed32972993
UniProtO78747|NU1M_SHEEP NADH-ubiquinone oxidoreductase chain 1 (Gene Name=MT-ND1)

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