Structure of PDB 8bq6 Chain F Binding Site BS02

Receptor Information
>8bq6 Chain F (length=434) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKTHFGGLKDEDRIFTNLYGLHDPFLKGAMKRGDWHRTKDLVLKGTDWIV
NEMKKSGLRGRGGAGFPSGLKWSFMPKVSDGRPSYLVVNADESEPGTCKD
REIMRHDPHKLLEGCLIAGVGMRASAAYIYIRGEYVNERLNLEKARREAY
AAGLLGKNACGSGYDFEVYIHFGAGAYICGEETALLESLEGKQGKPRLKP
PFPANAGLYGCPTTVTNVETVAVSPTILRRGPEWFSSFGRKNNAGTKLFC
ISGHVNKPCTVEEEMSIPLKELIERHCGGVRGGWDNLLAIIPGGSSVPLI
PKNICEDVLMDFDALKAVQSGLGTAAVIVMDKSTDVVDAIARLSYFYKHE
SCGQCTPCREGTGWLWMIMERMKVGNAKLEEIDMLQEVTKQIEGHTICAL
GDAAAWPVQGLIRHFRPELERRIRERAERELLQA
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 chain8bq6 Chain F Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bq6 Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I228 P246 S401 C402 G403 Q404 C405 C408 T446 I447 C448 L450
Binding residue
(residue number reindexed from 1)		I178 P196 S351 C352 G353 Q354 C355 C358 T396 I397 C398 L400
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:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005886 plasma 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:8bq6, PDBe:8bq6, PDBj:8bq6
PDBsum8bq6
PubMed36585502
UniProtQ9FNN5|NDUV1_ARATH NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Gene Name=At5g08530)

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