Structure of PDB 7p63 Chain B Binding Site BS01

Receptor Information
>7p63 Chain B (length=210) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYTLTRIDPNDRYPLQKQEIVTDPLNVFMGKLNDMVNWGRKNSIWPYNFG
LSCCYVEMVTSFTAVHDVARFGAEVLRASPRQADLMVVAGTCFTKMAPVI
QRLYDQMLEPKWVISMGACANSGGMYDIYSVVQGVDKFIPVDVYIPGCPP
RPEAYMQALMLLQESIGKERRPLSWVVGDQGVYRANMQSERERKRGERIA
VTNLRTPDEI
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 chain7p63 Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p63 A universal coupling mechanism of respiratory complex I.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		G60 Y65 V69
Binding residue
(residue number reindexed from 1)		G50 Y55 V59
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0005506 iron ion binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030964 NADH dehydrogenase complex
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:7p63, PDBe:7p63, PDBj:7p63
PDBsum7p63
PubMed36104567
UniProtP0AFC7|NUOB_ECOLI NADH-quinone oxidoreductase subunit B (Gene Name=nuoB)

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