Structure of PDB 8e73 Chain V1 Binding Site BS02

Receptor Information
>8e73 Chain V1 (length=430) Species: 157791 (Vigna radiata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HFGGLKDEDRIFTNLYGLHDPFLKGAMKRGDWYRTKDLVIKGTDWIVNEM
KKSGLRGRGGAGFPSGLKWSFMPKVSDGRPSYLVVNADESEPGTCKDREI
MRHDPHKLLEGCLIAGVGMRATAAYIYIRGEYVNERKNLEKARQEAYAAG
LLGKNACGSGYDFDVHIHFGAGAYICGEETALLESLEGKQGKPRLKPPFP
ANAGLYGCPTTVTNVETVAVSPTILRRGPEWFAGFGRKNNAGTKLFCVSG
HVNKPCTVEEEMSIPLKELIERHCGGVRGGWDNLLAVIPGGSSVPLLPKS
ICDDVLMDYDALKAVQSGLGTAAVIVMDKSTDVVDAIARLSYFYKHESCG
QCTPCREGTGWLWTIMERMKVGNAKLEEIDMLQELTKQIEGHTICALGDA
AAWPVQGLIRHFRPELERRIRENAERELLQ
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 chain8e73 Chain V1 Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e73 Plant-specific features of respiratory supercomplex I + III 2 from Vigna radiata.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		I233 P251 C407 G408 Q409 C410 C413 T451 I452 C453 L455
Binding residue
(residue number reindexed from 1)		I175 P193 C349 G350 Q351 C352 C355 T393 I394 C395 L397
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:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner 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:8e73, PDBe:8e73, PDBj:8e73
PDBsum8e73
PubMed36581760
UniProtA0A1S3V7V2

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