Structure of PDB 7w4q Chain M Binding Site BS01

Receptor Information
>7w4q Chain M (length=690) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNLIEVFVDGQSVMVEPGTTVLQACEKVGMQIPRFCYHERLSVAGNCRMC
LVEIEKAPKVVAACAMPVMKGWNILTNSEKSKKAREGVMEFLLANHPLDC
PICDQGGECDLQDQSMMFGSDRSRFLEGKRAVEDKNIGPLVKTIMTRCIQ
CTRCIRFASEIAGVDDLGTTGRGNDMQVGTYIEKMFMSELSGNIIDICPV
GALTSKPYAFTARPWETRKTESIDVMDAVGSNIVVSTRTGEVMRILPRMH
EDINEEWISDKTRFAYDGLKRQRLTQPMIRNEKGLLTYTTWEDALSRVAG
MLQSFQGNDVAAIAGGLVDAEALVALKDLLNRVDSDSLCTEEVFPTAGAG
TDLRSNYLLNTTIAGVEEADVILLVGTNPRFEAPLFNARIRKSWLHNDLK
VALIGSPVDLTYRYDHLGDSPKILQDIASGNHPFSQILKEAKKPMVVLGS
SALQRSDGTAILAAVSNIAQNIRLSSGVTGDWKVMNILHRIASQVAALDL
GYKPGVEAIRKNPPKVLFLLGADGGCITRQDLPKDCFIIYQGHHGDVGAP
MADVILPGAAYTEKSATYVNTEGRAQQTKVAVTPPGLAREDWKIIRALSE
IAGMTLPYDTLDQVRSRLEEVSPNLVRYDDVEGANYFQQANELSKLVNQQ
LLADPLVPPQLTIKDFYMTDSISRASQTMAKCVKAVTEGI
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7w4q Chain M Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7w4q The coupling mechanism of mammalian mitochondrial complex I.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		H124 D127 C128 C131 Q133 C137 V228 G229
Binding residue
(residue number reindexed from 1)		H96 D99 C100 C103 Q105 C109 V200 G201
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7w4q, PDBe:7w4q, PDBj:7w4q
PDBsum7w4q
PubMed35145322
UniProtA0A4X1V1H9

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