Structure of PDB 7a23 Chain A Binding Site BS02

Receptor Information
>7a23 Chain A (length=429) Species: 3712 (Brassica oleracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THFGGLKDEDRIFTNLYGLHDPFLKGAMKRGDWHRTKDLVLKGTDWIVNE
MKKSGLRGRGGAGFPSGLKWSFMPKVSDGRPSYLVVNADESEPGTCKDRE
IMRHDPHKLLEGCLIAGVGMRASAAYIYIRGEYVNERLNLEKARREAYAA
GLLGKNACGSGYDFEVYIHFGAGAYICGEETALLESLEGKQGKPRLKPPF
PANAGLYGCPTTVTNVETVAVSPTILRRGPEWFSSFGRKNNAGTKLFCIS
GHVNKPCTVEEEMSIPLKELIERHCGGVRGGWDNLLAIIPGGSSVPLIPK
NICEDVLMDFDALKAVQSGLGTAAVIVMDKSTDVVDAIARLSYFYKHESC
GQCTPCREGTGWLWMIMERMKVGNAKLEEIDMLQEVTKQIEGHTICALGD
AAAWPVQGLIRHFRPELERRIRERAEREL
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 chain7a23 Chain A Residue 502 [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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PDB7a23 Specific features and assembly of the plant mitochondrial complex I revealed by cryo-EM.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		G110 R111 G112 N139 D141 E144 Y227 E231 E232 V265 N267 T270 A449 L450
Binding residue
(residue number reindexed from 1)		G58 R59 G60 N87 D89 E92 Y175 E179 E180 V213 N215 T218 A397 L398
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:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005886 plasma 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:7a23, PDBe:7a23, PDBj:7a23
PDBsum7a23
PubMed33060577
UniProtQ9FNN5|NDUV1_ARATH NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (Gene Name=At5g08530)

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