Structure of PDB 8ca3 Chain G Binding Site BS02

Receptor Information
>8ca3 Chain G (length=688) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNLIEVFVDGQSVMVEPGTTVLQACEKVGMQIPRFCYHERLSVAGNCRMC
LVEIEKAPKVVAACAMPVMKGWNILTNSEKSKKAREGVMEFLLANHPLDC
PICDQGGECDLQDQSMMFGSDRSRFLEGKRAVEDKNIGPLVKTIMTRCIQ
CTRCIRFASEIAGVDDLGTTGRGNDMQVGTYIEKMFMSELSGNVIDICPV
GALTSKPYAFTARPWETRKTESIDVMDAVGSNIVVSTRTGEVMRILPRMH
EDINEEWISDKTRFAYDGLKRQRLTEPMVRNEKGLLTYTSWEDALSRVAG
MLQNFEGNAVAAIAGGLVDAEALVALKDLLNKVDSDNLCTEEIFPTEGAG
TDLRSNYLLNTTIAGVEEADVVLLVGTNPRFEAPLFNARIRKSWLHNDLK
VALIGSPVDLTYRYDHLGDSPKILQDIASGRHSFCEVLKDAKKPMVVLGS
SALQRDDGAAILVAVSNMVQKIRVTTGVAAEWKVMNILHRIASQVAALDL
GYKPGVEAIRKNPPKMLFLLGADGGCITRQDLPKDCFIVYQGHHGDVGAP
MADVILPGAAYTEKSATYVNTEGRAQQTKVAVTPPGLAREDWKIIRALSE
IAGITLPYDTLDQVRNRLEEVSPNLVRYDDIEETNYFQQASELAKLVNQE
VLADPLVPPQLTIKDFYMTDSISRASQTMAKCVKAVTE
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 chain8ca3 Chain G Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ca3 Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 2).
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C153 I154 Q155 C156 T157 R158 C159 C203 P204 A207 L208
Binding residue
(residue number reindexed from 1)		C148 I149 Q150 C151 T152 R153 C154 C198 P199 A202 L203
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0005515 protein binding
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:0009060 aerobic respiration
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042773 ATP synthesis coupled electron transport
GO:0042776 proton motive force-driven mitochondrial ATP synthesis
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:0043209 myelin sheath
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:8ca3, PDBe:8ca3, PDBj:8ca3
PDBsum8ca3
PubMed38177503
UniProtQ91VD9|NDUS1_MOUSE NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (Gene Name=Ndufs1)

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