Structure of PDB 8bq5 Chain I Binding Site BS01

Receptor Information
>8bq5 Chain I (length=165) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDWNTVFERSINTLFLTEMVRGLSLTLKYFFDPKVTINYPFEKGPLSPRF
RGEHALRRYPTGEERCIACKLCEAVCPAQAITIEAEEREDGSRRTTRYDI
DMTKCIYCGFCQEACPVDAIVEGPNFEFATETHEELLYDKEKLLENGDRW
ETEIAENLRSESLYR
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 chain8bq5 Chain I Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bq5 Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Resolution2.73 Å
Binding residue
(original residue number in PDB)		H111 C133 P134 I138 C162 I163 Y164 C165 G166 C168
Binding residue
(residue number reindexed from 1)		H54 C76 P77 I81 C105 I106 Y107 C108 G109 C111
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:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bq5, PDBe:8bq5, PDBj:8bq5
PDBsum8bq5
PubMed36585502
UniProtQ42599|NDS8A_ARATH NADH dehydrogenase [ubiquinone] iron-sulfur protein 8-A, mitochondrial (Gene Name=At1g79010)

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