Structure of PDB 7r42 Chain G Binding Site BS03

Receptor Information
>7r42 Chain G (length=688) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNLIEVFVDGQSVMVEPGTTVLQACEKVGMQIPRFCYHERLSVAGNCRMC
LVEIEKAPKVVAACAMPVMKGWNILTNSEKTKKAREGVMEFLLANHPLDC
PICDQGGECDLQDQSMMFGSDRSRFLEGKRAVEDKNIGPLVKTIMTRCIQ
CTRCIRFASEIAGVDDLGTTGRGNDMQVGTYIEKMFMSELSGNIIDICPV
GALTSKPYAFTARPWETRKTESIDVMDAVGSNIVVSTRTGEVMRILPRMH
EDINEEWISDKTRFAYDGLKRQRLTEPMVRNEKGLLTHTTWEDALSRVAG
MLQSFQGNDVAAIAGGLVDAEALIALKDLLNRVDSDTLCTEEVFPTAGAG
TDLRSNYLLNTTIAGVEEADVVLLVGTNPRFEAPLFNARIRKSWLHNDLK
VALIGSPVDLTYRYDHLGDSPKILQDIASGSHPFSQVLQEAKKPMVILGS
SALQRNDGAAILAAVSNIAQKIRTSSGVTGDWKVMNILHRIASQVAALDL
GYKPGVEAIQKNPPKMLFLLGADGGCITRQDLPKDCFIVYQGHHGDVGAP
IADVILPGAAYTEKSATYVNTEGRAQQTKVAVTPPGLAREDWKIIRALSE
IAGMTLPYDTLDQVRNRLEEVSPNLVRYDDVEGANYFQQASELSKLVNQQ
LLADPLVPPQLTIKDFYMTDSISRASQTMAKCVKAVTE
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7r42 Chain G Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r42 Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R39 C41 Y42 G50 C52 R53 C55 C69
Binding residue
(residue number reindexed from 1)		R34 C36 Y37 G45 C47 R48 C50 C64
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0009055 electron transfer 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:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042773 ATP synthesis coupled electron transport
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005758 mitochondrial intermembrane space
GO:0016020 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:7r42, PDBe:7r42, PDBj:7r42
PDBsum7r42
PubMed36701435
UniProtP15690|NDUS1_BOVIN NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (Gene Name=NDUFS1)

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