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Structure of PDB 7arb Chain F Binding Site BS01

Receptor Information >7arb Chain F (length=434) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] EKTHFGGLKDEDRIFTNLYGLHDPFLKGAMKRGDWHRTKDLVLKGTDWIV NEMKKSGLRGRGGAGFPSGLKWSFMPKVSDGRPSYLVVNADESEPGTCKD REIMRHDPHKLLEGCLIAGVGMRASAAYIYIRGEYVNERLNLEKARREAY AAGLLGKNACGSGYDFEVYIHFGAGAYICGEETALLESLEGKQGKPRLKP PFPANAGLYGCPTTVTNVETVAVSPTILRRGPEWFSSFGRKNNAGTKLFC ISGHVNKPCTVEEEMSIPLKELIERHCGGVRGGWDNLLAIIPGGSSVPLI PKNICEDVLMDFDALKAVQSGLGTAAVIVMDKSTDVVDAIARLSYFYKHE SCGQCTPCREGTGWLWMIMERMKVGNAKLEEIDMLQEVTKQIEGHTICAL GDAAAWPVQGLIRHFRPELERRIRERAERELLQA

Ligand information Ligand ID FMN InChI InChI=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 InChIKey FVTCRASFADXXNN-SCRDCRAPSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O OpenEye OEToolkits 1.7.6 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O ACDLabs 12.01 N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O CACTVS 3.385 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C CACTVS 3.385 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C Formula C17 H21 N4 O9 P Name FLAVIN MONONUCLEOTIDE; RIBOFLAVIN MONOPHOSPHATE ChEMBL CHEMBL1201794 DrugBank DB03247 ZINC ZINC000003831425 PDB chain 7arb Chain F Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 7arb A ferredoxin bridge connects the two arms of plant mitochondrial complex I. Resolution 3.41 Å Binding residue (original residue number in PDB) G110 R111 G112 K121 N139 D141 Y227 G230 E231 E232 T266 N267 L450 Binding residue (residue number reindexed from 1) G60 R61 G62 K71 N89 D91 Y177 G180 E181 E182 T216 N217 L400 Annotation score 1

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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