Structure of PDB 7ar7 Chain I Binding Site BS01

Receptor Information
>7ar7 Chain I (length=169) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEISKDWNTVFERSINTLFLTEMVRGLSLTLKYFFDPKVTINYPFEKGPL
SPRFRGEHALRRYPTGEERCIACKLCEAVCPAQAITIEAEEREDGSRRTT
RYDIDMTKCIYCGFCQEACPVDAIVEGPNFEFATETHEELLYDKEKLLEN
GDRWETEIAENLRSESLYR
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 chain7ar7 Chain I Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ar7 A ferredoxin bridge connects the two arms of plant mitochondrial complex I.
Resolution3.72 Å
Binding residue
(original residue number in PDB)		H111 C133 P134 I138 C162 I163 Y164 C165 C168
Binding residue
(residue number reindexed from 1)		H58 C80 P81 I85 C109 I110 Y111 C112 C115
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:7ar7, PDBe:7ar7, PDBj:7ar7
PDBsum7ar7
PubMed33768254
UniProtQ42599|NDS8A_ARATH NADH dehydrogenase [ubiquinone] iron-sulfur protein 8-A, mitochondrial (Gene Name=At1g79010)

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