Structure of PDB 8q0q Chain G Binding Site BS01

Receptor Information
>8q0q Chain G (length=689) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASNLIEVFVDGQSVMVEPGTTVLQACEKVGMQIPRFCYHERLSVAGNCRM
CLVEIEKAPKVVAACAMPVMKGWNILTNSEKTKKAREGVMEFLLANHPLD
CPICDQGGECDLQDQSMMFGSDRSRFLEGKRAVEDKNIGPLVKTIMTRCI
QCTRCIRFASEIAGVDDLGTTGRGNDMQVGTYIEKMFMSELSGNIIDICP
VGALTSKPYAFTARPWETRKTESIDVMDAVGSNIVVSTRTGEVMRILPRM
HEDINEEWISDKTRFAYDGLKRQRLTEPMVRNEKGLLTHTTWEDALSRVA
GMLQSFQGNDVAAIAGGLVDAEALIALKDLLNRVDSDTLCTEEVFPTAGA
GTDLRSNYLLNTTIAGVEEADVVLLVGTNPRFEAPLFNARIRKSWLHNDL
KVALIGSPVDLTYRYDHLGDSPKILQDIASGSHPFSQVLQEAKKPMVILG
SSALQRNDGAAILAAVSNIAQKIRTSSGVTGDWKVMNILHRIASQVAALD
LGYKPGVEAIQKNPPKMLFLLGADGGCITRQDLPKDCFIVYQGHHGDVGA
PIADVILPGAAYTEKSATYVNTEGRAQQTKVAVTPPGLAREDWKIIRALS
EIAGMTLPYDTLDQVRNRLEEVSPNLVRYDDVEGANYFQQASELSKLVNQ
QLLADPLVPPQLTIKDFYMTDSISRASQTMAKCVKAVTE
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 chain8q0q 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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PDB8q0q Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I
Resolution3.6 Å
Binding residue
(original residue number in PDB)		H101 D104 C105 C108 G111 C114 L116 Q117 V205 G206
Binding residue
(residue number reindexed from 1)		H97 D100 C101 C104 G107 C110 L112 Q113 V201 G202
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:8q0q, PDBe:8q0q, PDBj:8q0q
PDBsum8q0q
PubMed38870289
UniProtP15690|NDUS1_BOVIN NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (Gene Name=NDUFS1)

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