Structure of PDB 8q1y Chain G Binding Site BS01

Receptor Information
>8q1y Chain G (length=691) 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
LLADPLVPPQLTIKDFYMTDSISRASQTMAKCVKAVTEGAH
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 chain8q1y Chain G Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8q1y Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H101 D104 C105 C108 G111 C114 L116 Q117 V205
Binding residue
(residue number reindexed from 1)		H96 D99 C100 C103 G106 C109 L111 Q112 V200
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:0046872 metal ion 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:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005758 mitochondrial intermembrane space
GO:0045271 respiratory chain complex I

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8q1y, PDBe:8q1y, PDBj:8q1y
PDBsum8q1y
PubMed38870289
UniProtP15690|NDUS1_BOVIN NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (Gene Name=NDUFS1)

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