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Structure of PDB 7zdm Chain 1 Binding Site BS02

Receptor Information >7zdm Chain 1 (length=430) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] KTSFGSLKDEDRIFTNLYGRHDWRLKGAQSRGDWYKTKEILLKGPDWILG EVKTSGLRGRGGAGFPTGLKWSFMNKPSDGRPKYLVVNADEGEPGTCKDR EIIRHDPHKLVEGCLVGGRAMGARAAYIYIRGEFYNEASNLQVAIREAYE AGLIGKNACGSGYDFDVFVVRGAGAYICGEETALIESIEGKQGKPRLKPP FPADVGVFGCPTTVANVETVAVSPTICRRGGAWFASFGRERNSGTKLFNI SGHVNNPCTVEEEMSVPLKELIEKHAGGVTGGWDNLLAVIPGGSSTPLIP KSVCETVLMDFDALIQAQTGLGTAAVIVMDRSTDIVKAIARLIEFYKHES CGQCTPCREGVDWMNKVMARFVRGDARPAEIDSLWEISKQIEGHTICALG DGAAWPVQGLIRHFRPELEERMQRFAQQHQ

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 7zdm Chain 1 Residue 502 [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 7zdm A universal coupling mechanism of respiratory complex I. Resolution 3.44 Å Binding residue (original residue number in PDB) G67 G69 K78 N96 E99 G187 E188 N224 A406 Binding residue (residue number reindexed from 1) G59 G61 K70 N88 E91 G179 E180 N216 A398 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: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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