Structure of PDB 8bq6 Chain G Binding Site BS03

Receptor Information
>8bq6 Chain G (length=687) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNPVGGARVHFSNPEDAIEVFVDGYAVKVPKGFTVLQACEVAGVDIPRFC
YHSRLSIAGNCRMCLVEVEKSPKPVASCAMPALPGMKIKTDTPIAKKARE
GVMEFLLMNHPLDCPICDQGGECDLQDQSMAFGSDRGRFTEMKRSVVDKN
LGPLVKTVMTRCIQCTRCVRFASEVAGVQDLGILGRGSGEEIGTYVEKLM
TSELSGNVIDICPVGALTSKPFAFKARNWELKATETIDVSDAVGSNIRVD
SRGPEVMRIIPRLNEDINEEWISDKTRFCYDGLKRQRLSDPMIRDSDGRF
KAVSWRDALAVVGDIIHQVKPDEIVGVAGQLSDAESMMVLKDFVNRMGSD
NVWCEGTAAGVDADLRYSYLMNTSISGLENADLFLLIGTQPRVEAAMVNA
RICKTVRASNAKVGYVGPPAEFNYDCKHLGTGPDTLKEIAEGRHPFCTAL
KNAKNPAIIVGAGLFNRTDKNAILSSVESIAQANNVVRPDWNGLNFLLQY
AAQAAALDLGLIQQSAKALESAKFVYLMGADDVNVDKIPKDAFVVYQGHH
GDKAVYRANVILPASAFTEKEGTYENTEGFTQQTVPAVPTVGDARDDWKI
VRALSEVSGVKLPYNSIEGVRSRIKSVAPNLVHTDEREPAAFGPSLKPEC
KEAMSTTPFQTVVENFYMTNSITRASKIMAQCSAVLL
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 G Residue 803 [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)		C218 I219 Q220 C221 T222 C224 I248 C268 A272 L273
Binding residue
(residue number reindexed from 1)		C162 I163 Q164 C165 T166 C168 I192 C212 A216 L217
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: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:0009853 photorespiration
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0009507 chloroplast
GO:0009536 plastid
GO:0016020 membrane
GO:0031966 mitochondrial 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
UniProtQ9FGI6|NDUS1_ARATH NADH dehydrogenase [ubiquinone] iron-sulfur protein 1, mitochondrial (Gene Name=EMB1467)

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