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Structure of PDB 2vr0 Chain C Binding Site BS02

Receptor Information >2vr0 Chain C (length=144) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] LVLGGATLGVVALATVAFGMKYTDQRPFCTSCHIMNPVGVTHKLSGHANI SCNDCHAPHNLLAKLPFKAIAGARDVYMNTLGHPGDLILAGMETKEVVNA NCKACHTMTNVEVASMEAKKYCTDCHRNVQHMRMKPISTREVAD

Ligand information Ligand ID HEC InChI InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-; InChIKey HXQIYSLZKNYNMH-LJNAALQVSA-N SMILES Software SMILES ACDLabs 10.04 O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C OpenEye OEToolkits 1.5.0 CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C CACTVS 3.341 C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C CACTVS 3.341 CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C Formula C34 H34 Fe N4 O4 Name HEME C ChEMBL DrugBank ZINC PDB chain 2vr0 Chain C Residue 1002 [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 2vr0 Quinol Oxidation by C-Type Cytochromes: Structural Characterization of the Menaquinol Binding Site of Nrfha. Resolution 2.8 Å Binding residue (original residue number in PDB) M49 V52 H56 H61 C66 C69 H70 I102 A104 K109 Q144 H145 Binding residue (residue number reindexed from 1) M35 V38 H42 H47 C52 C55 H56 I88 A90 K95 Q130 H131 Annotation score 4

Enzymatic activity Enzyme Commision number 1.10.2.-

Gene Ontology Molecular Function GO:0009055 electron transfer activity GO:0020037 heme binding GO:0046872 metal ion binding

	Biological Process
GO:0009061	anaerobic respiration
GO:0019333	denitrification pathway

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane

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