Structure of PDB 7v31 Chain r Binding Site BS01

Receptor Information
>7v31 Chain r (length=459) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKIIIPTTMLLPMTWMSKHNMIWINATVHSLLISLISLSLLNQLGENSL
NFSLTFFSDSLSAPLLVLTTWLLPLMLMASQSHLSKETTTRKKLYITMLI
LLQLFLIMTFTATELILFYILFEATLVPTLIIITRWGNQTERLNAGLYFL
FYTLAGSLPLLVALVYIQNTTGSLNFLIIHYWSHPLSNSWSNIFMWLACI
MAFMVKMPLYGLHLWLPKAHVEAPIAGSMVLAAVLLKLGGYGMMRITTIL
NPLTNYMAYPFLMLSMWGMIMTSSICLRQTDLKSLIAYSSVSHMALVIVA
IMIQTPWSFMGATALMIAHGLTSSMLFCLANTNYERVHSRTMILARGLQT
LLPLMATWWLVASLTNLALPPSINLIGELFIITASFSWSNITIILMGMNM
MITALYSLYMLITTQRGKYTHHINNIKPSFTRENALMALHILPLLLLTLN
PKMILGPLY
Ligand information
Ligand IDPLX
InChIInChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/p+1/t40-,41+,42+/m1/s1
InChIKeyYVNJQRQLQPWVSQ-IWSHAHEXSA-O
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@H](O)CCCCCCCCCCCCCCC)CO[P@@](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(O)OC(COC(CCCCCCCCCCCCCCC)O)COP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.341CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 10.04O=P(OCC(OC(O)CCCCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(C)C
FormulaC42 H89 N O8 P
Name(9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL
ChEMBL
DrugBank
ZINCZINC000058638459
PDB chain7v31 Chain r Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7v31 The coupling mechanism of mammalian mitochondrial complex I.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N188 S189 W190 L212 P260
Binding residue
(residue number reindexed from 1)		N188 S189 W190 L212 P260
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
GO:0048039 ubiquinone binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042773 ATP synthesis coupled electron transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7v31, PDBe:7v31, PDBj:7v31
PDBsum7v31
PubMed35145322
UniProtO79881|NU4M_PIG NADH-ubiquinone oxidoreductase chain 4 (Gene Name=MT-ND4)

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