Structure of PDB 7p63 Chain C Binding Site BS01

Receptor Information
>7p63 Chain C (length=589) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPAWQTRDHLDDPVIGELRNRFGPDAFTVQATRTGVPVVWIKREQLLEVG
DFLKKLPKPYVMLFDLHGMDERLRTHREGLPAADFSVFYHLISIDRNRDI
MLKVALAENDLHVPTFTKLFPNANWYERETWDLFGITFDGHPNLRRIMMP
QTWKGHPLRKDYPARATEFSPFELTKAKQDLEMEALTFKPEEWGMKRGTE
NEDFMFLNLGPNHPSAHGAFRIVLQLDGEEIVDCVPDIGYHHRGAEKMGE
RQSWHSYIPYTDRIEYLGGCVNEMPYVLAVEKLAGITVPDRVNVIRVMLS
ELFRINSHLLYISTFIQDVGAMTPVFFAFTDRQKIYDLVEAITGFRMHPA
WFRIGGVAHDLPRGWDRLLREFLDWMPKRLASYEKAALQNTILKGRSQGV
AAYGAKEALEWGTTGAGLRATGIDFDVRKARPYSGYENFDFEIPVGGGVS
DCYTRVMLKVEELRQSLRILEQCLNNMPEGPFKADHPLTTPPPKERTLQH
IETLITHFLQVSWGPVMPANESFQMIEATKGINSYYLTSDGSTMSYRTRI
RTPSYAHLQQIPAAIRGSLVSDLIVYLGSIDFVMSDVDR
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)		H224 P225 A227 H228 G229 T325 Q328 V336
Binding residue
(residue number reindexed from 1)		H213 P214 A216 H217 G218 T314 Q317 V325
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003954 NADH dehydrogenase activity
GO:0005515 protein binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051287 NAD binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005737 cytoplasm
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
UniProtP33599|NUOCD_ECOLI NADH-quinone oxidoreductase subunit C/D (Gene Name=nuoC)

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