Structure of PDB 7dgr Chain A Binding Site BS01

Receptor Information
>7dgr Chain A (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 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 chain7dgr Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dgr A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Resolution4.6 Å
Binding residue
(original residue number in PDB)		H124 D127 C128 C131 C137 R175
Binding residue
(residue number reindexed from 1)		H96 D99 C100 C103 C109 R147
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:7dgr, PDBe:7dgr, PDBj:7dgr
PDBsum7dgr
PubMed34913730
UniProtP15690|NDUS1_BOVIN NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (Gene Name=NDUFS1)

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