Structure of PDB 8bpx Chain I Binding Site BS02

Receptor Information
>8bpx 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 chain8bpx Chain I Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bpx Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Resolution2.09 Å
Binding residue
(original residue number in PDB)		C123 I124 A125 C126 K127 C129 Y155 C172 P173 A176 I177
Binding residue
(residue number reindexed from 1)		C66 I67 A68 C69 K70 C72 Y98 C115 P116 A119 I120
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:8bpx, PDBe:8bpx, PDBj:8bpx
PDBsum8bpx
PubMed36585502
UniProtQ42599|NDS8A_ARATH NADH dehydrogenase [ubiquinone] iron-sulfur protein 8-A, mitochondrial (Gene Name=At1g79010)

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