{"ymdb_id":"YMDB00032","created_at":"2011-05-29T15:50:13.000Z","updated_at":"2016-09-08T18:34:55.000Z","name":"Purine","cas":"120-73-0","state":"Solid","melting_point":"214 oC","description":"Purines are heterocyclic aromatic compounds consisting of a pyrimidine ring fused to an imidazole ring. The two nucleic acid bases adenine and guanine are purines. Aside from DNA and RNA, purines are biochemically significant components in a number of other important biomolecules, such as ATP, GTP, cyclic AMP, NADH, and coenzyme A. Other notable purines are hypoxanthine, xanthine, theobromine, caffeine, uric acid and isoguanine. Purine itself, has not been found in nature, but it can be produced by organic synthesis.","experimental_water_solubility":"500 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"-0.37 [HANSCH,C ET AL. (1995)]","location":"Cytoplasm, Mitochondria, Nucleus","synthesis_reference":"Beaman, Alden G. New synthesis of purine. Journal of the American Chemical Society (1954), 76 5633-6.","chebi_id":"17258","hmdb_id":"HMDB01366","kegg_id":"C00465","pubchem_id":"1044","cs_id":"1015","foodb_id":null,"wikipedia_link":"Purine","biocyc_id":"Purine-Related","iupac":"7H-purine","traditional_iupac":"purine","logp":"-0.33900180666666646","pka":null,"alogps_solubility":"5.35e+01 g/l","alogps_logp":"-0.19","alogps_logs":"-0.35","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"54.46","refractivity":"33.2056","polarizability":"10.89537647246423","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"2.7601684440882974","pka_strongest_acidic":"9.310986074202647","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["{6H-Imidazo[4,5-d]pyrimidine}","{7H-Imidazo[4,} 5-d]pyrimidine","{Imidazo[4,5-d]pyrimidine}","1H-Purine","6H-Imidazo[4,5-d]pyrimidine","7-Methyltheophylline","7H-Imidazo(4,5-d)pyrimidine","7H-Purine","9H-Purine","beta-Purine","Caffedrine","Caffein","Cafipel","Coffeine","Dasin","Dexitac","Diurex","Durvitan","Imidazo(4,5-d)pyrimidine","Isopurine","Koffein","Mateina","Methyltheobromine","Phensal","Propoxyphene Compound 65","Purine","Purine base"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"pubmed_id":11337031,"citation":"Bzowska, A., Kulikowska, E., Shugar, D. (2000). \"Purine nucleoside phosphorylases: properties, functions, and clinical aspects.\" Pharmacol Ther 88:349-425."}],"proteins":[{"created_at":"2011-05-24T20:49:32.000Z","updated_at":"2011-07-22T17:54:36.000Z","name":"Purine nucleoside phosphorylase","uniprot_id":"Q05788","uniprot_name":"PNPH_YEAST","enzyme":true,"transporter":false,"gene_name":"PNP1","num_residues":311,"molecular_weight":"33754.60156","theoretical_pi":"7.31","general_function":"Involved in purine-nucleoside phosphorylase activity","specific_function":"Cleavage of guanosine or inosine to respective bases and sugar-1-phosphate molecules","reactions":[{"id":1447,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1915,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1916,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1917,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1918,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1919,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1920,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1921,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2012,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2349,"direction":"\u003e","locations":null,"altext":"Purine nucleoside + phosphate = purine + alpha-D-ribose 1-phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY557950","genbank_protein_id":"45269792","gene_card_id":"PNP1","chromosome_location":"chromosome 12","locus":"YLR209C","synonyms":["PNP","Inosine phosphorylase"],"enzyme_classes":["2.4.2.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring pentosyl groups"},{"category":"Function","description":" purine-nucleoside phosphorylase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring glycosyl groups"},{"category":"Process","description":" nucleoside metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"}],"pfams":[{"name":"PNP_UDP_1","identifier":"PF01048"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Pyrimidine metabolism","kegg_map_id":"00240"},{"name":"Nicotinate and nicotinamide metabolism","kegg_map_id":"00760"}],"gene_sequence":"ATGAGTGATATCTTGAACGTAAGTCAACAACGTGAAGCAATTACCAAGGCCGCTGCGTATATTTCTGCTATTTTAGAACCACATTTCAAAAATACAACAAATTTCGAGCCTCCGAGAACTTTGATTATATGTGGTTCAGGGCTTGGTGGAATATCTACCAAGCTGTCTAGAGACAATCCACCCCCGGTAACAGTCCCATACCAAGACATCCCAGGATTCAAGAAAAGTACGGTTCCAGGTCATTCCGGTACACTAATGTTCGGATCTATGAATGGTTCACCAGTAGTATTAATGAATGGTCGTCTTCATGGATATGAAGGCAACACATTGTTTGAGACTACTTTTCCTATTAGAGTGCTTAACCACATGGGTCATGTTCGTAATTTAATTGTCACTAATGCCGCTGGTGGTATAAACGCGAAATATCAAGCCTGCGATTTGATGTGCATTTATGATCATTTAAATATCCCTGGCCTTGCTGGCCAGCACCCATTGAGAGGTCCTAACTTGGATGAAGATGGACCTCGTTTTTTAGCCTTGAGTGATGCATATGATCTGGAGTTGAGGAAGCTTTTATTTAAGAAATGGAAAGAGCTCAAGATTCAAAGGCCACTGCATGAAGGTACTTATACTTTTGTATCTGGACCCACTTTCGAAACAAGAGCAGAATCCAAAATGATAAGGATGTTGGGAGGAGATGCTGTCGGAATGAGTACTGTTCCCGAAGTCATTGTTGCAAGACATTGCGGATGGAGGGTTTTGGCCTTAAGTTTGATTACCAATACTTGCGTGGTGGATAGCCCTGCCAGTGCGTTGGACGAATCACCTGTACCCTTAGAAAAAGGCAAAGCGACTCACGCTGAAGTACTGGAGAATGGTAAAATCGCCTCTAATGACGTGCAAAACTTAATTGCTGCCGTAATGGGGGAATTATAA","protein_sequence":"MSDILNVSQQREAITKAAAYISAILEPHFKNTTNFEPPRTLIICGSGLGGISTKLSRDNPPPVTVPYQDIPGFKKSTVPGHSGTLMFGSMNGSPVVLMNGRLHGYEGNTLFETTFPIRVLNHMGHVRNLIVTNAAGGINAKYQACDLMCIYDHLNIPGLAGQHPLRGPNLDEDGPRFLALSDAYDLELRKLLFKKWKELKIQRPLHEGTYTFVSGPTFETRAESKMIRMLGGDAVGMSTVPEVIVARHCGWRVLALSLITNTCVVDSPASALDESPVPLEKGKATHAEVLENGKIASNDVQNLIAAVMGEL"}]}