{"ymdb_id":"YMDB00976","created_at":"2011-06-03T16:54:14.000Z","updated_at":"2016-09-08T18:36:06.000Z","name":"Pyrazinecarboxamide","cas":"98-96-4","state":"Solid","melting_point":"192 oC","description":"Pyrazinecarboxamide (pyrazinamide) is a drug used to treat tuberculosis. When metabolized by nitotinamidase the product is toxic to Mycobacterium tuberculosis however there is no evidence that it is toxic to yeast. [PMID: 1931499]","experimental_water_solubility":"15 mg/mL at 25 oC [MERCK INDEX (1996)]","experimental_logp_hydrophobicity":"-0.60 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"45285","hmdb_id":null,"kegg_id":"C01956","pubchem_id":"1046","cs_id":"1017","foodb_id":null,"wikipedia_link":"Pyrazinamide","biocyc_id":null,"iupac":"pyrazine-2-carboxamide","traditional_iupac":"pyrazinamide","logp":"-1.2256084179999998","pka":null,"alogps_solubility":"9.37e+01 g/l","alogps_logp":"-0.71","alogps_logs":"-0.12","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"68.87","refractivity":"30.450599999999998","polarizability":"11.12950215412805","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.6749948862217917","pka_strongest_acidic":"13.059008881020116","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Carbamylpyrazine","2-Pyrazinecarboxamide","Aldinamid","Aldinamide","Eprazin","Farmizina","Novamid","Pirazimida","Pirazinamid","Pyrafat","Pyrazinamdie","Pyrazinamide","pyrazine carboxamide","Pyrazine carboxylamide","PYRAZINE-2-CARBOXAMIDE","Pyrazineamide","Pyrazinecarboxamide","Pyrazinecarboxylic acid amide","Pyrazinoic acid amide","PZA","Tebrazid","Unipyranamide","Zinamide"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":17382284,"citation":"Hu, G., Taylor, A. B., McAlister-Henn, L., Hart, P. J. (2007). \"Crystal structure of the yeast nicotinamidase Pnc1p.\" Arch Biochem Biophys 461:66-75."}],"proteins":[{"created_at":"2011-05-26T18:09:25.000Z","updated_at":"2011-05-27T15:01:03.000Z","name":"Nicotinamidase","uniprot_id":"P53184","uniprot_name":"PNC1_YEAST","enzyme":true,"transporter":false,"gene_name":"PNC1","num_residues":216,"molecular_weight":"24993.19922","theoretical_pi":"6.23","general_function":"Involved in catalytic activity","specific_function":"Catalyzes the deamidation of nicotinamide, an early step in the NAD(+) salvage pathway. Positively regulates SIR2-mediated silencing and longevity by preventing the accumulation of intracellular nicotinamide, an inhibitor of SIR2, during times of stress. Acts also on nicotinyl hydroxamate","reactions":[{"id":1775,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2511,"direction":"\u003e","locations":"Cytoplasm. Nucleus. Peroxisome.","altext":"Nicotinamide + H(2)O = nicotinate + NH(3).","export":false,"pw_reaction_id":null,"source":null},{"id":4194,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006493","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus. Peroxisome.","genbank_gene_id":"AY558481","genbank_protein_id":"45270852","gene_card_id":"PNC1","chromosome_location":"chromosome 7","locus":"YGL037C","synonyms":["Nicotine deamidase","NAMase"],"enzyme_classes":["3.5.1.19"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Isochorismatase","identifier":"PF00857"}],"pathways":[{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"},{"name":"NAD metabolism","kegg_map_id":null}],"gene_sequence":"ATGAAGACTTTAATTGTTGTTGATATGCAAAATGATTTTATTTCACCTTTAGGTTCCTTGACTGTTCCAAAAGGTGAGGAATTAATCAATCCTATCTCGGATTTGATGCAAGATGCTGATAGAGACTGGCACAGGATTGTGGTCACCAGAGATTGGCACCCTTCCAGACATATTTCGTTCGCAAAGAACCATAAAGATAAAGAACCCTATTCAACATACACCTACCACTCTCCAAGGCCAGGCGATGATTCCACGCAAGAGGGTATTTTGTGGCCCGTACACTGTGTGAAAAACACCTGGGGTAGTCAATTGGTTGACCAAATAATGGACCAAGTGGTCACTAAGCATATTAAGATTGTCGACAAGGGTTTCTTGACTGACCGTGAATACTACTCCGCCTTCCACGACATCTGGAACTTCCATAAGACCGACATGAACAAGTACTTAGAAAAGCATCATACAGACGAGGTTTACATTGTCGGTGTAGCTTTGGAGTATTGTGTCAAAGCCACCGCCATTTCCGCTGCAGAACTAGGTTATAAGACCACTGTCCTGCTGGATTACACAAGACCCATCAGCGATGATCCCGAAGTCATCAATAAGGTTAAGGAAGAGTTGAAGGCCCACAACATCAATGTCGTGGATAAATAA","protein_sequence":"MKTLIVVDMQNDFISPLGSLTVPKGEELINPISDLMQDADRDWHRIVVTRDWHPSRHISFAKNHKDKEPYSTYTYHSPRPGDDSTQEGILWPVHCVKNTWGSQLVDQIMDQVVTKHIKIVDKGFLTDREYYSAFHDIWNFHKTDMNKYLEKHHTDEVYIVGVALEYCVKATAISAAELGYKTTVLLDYTRPISDDPEVINKVKEELKAHNINVVDK"}]}