Structure of PDB 8e73 Chain V1 Binding Site BS01

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 IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain8e73 Chain V1 Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		G115 G117 N144 D146 Y232 G235 E236 V270 T271 N272 A454 L455
Binding residue
(residue number reindexed from 1)		G57 G59 N86 D88 Y174 G177 E178 V212 T213 N214 A396 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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