{"ymdb_id":"YMDB00134","created_at":"2011-05-29T16:00:11.000Z","updated_at":"2016-09-08T18:35:04.000Z","name":"Diadenosine triphosphate","cas":"56432-02-1","state":"Solid","melting_point":"","description":"Diadenosine triphosphate (AP3A) is a diadenosine polyphosphate. These types of nucleotides are believed to\nhave a physiological role because their intracellular concentrations may depend on environmental factors such as temperature or the presence of oxidants. [PMID: 1653209]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"Cytoplasm, Nucleus, Mitochondrion","synthesis_reference":null,"chebi_id":"27775","hmdb_id":"HMDB01155","kegg_id":"C06197","pubchem_id":"165381","cs_id":"24644756","foodb_id":null,"wikipedia_link":null,"biocyc_id":"ADENOSINE5TRIPHOSPHO5ADENOSINE","iupac":"{[(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid","traditional_iupac":"[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphinic acid","logp":"-9.071529283792099","pka":"2.217888694784232","alogps_solubility":"4.39e+00 g/l","alogps_logp":"-1.26","alogps_logs":"-2.24","acceptor_count":"20","donor_count":"9","rotatable_bond_count":"12","polar_surface_area":"387.4399999999998","refractivity":"155.2309","polarizability":"62.1040745778475","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"5.294386571536737","pka_strongest_acidic":"0.9086468318712404","bioavailability":"0","number_of_rings":"6","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["Adenosine (5')triphospho(5')adenosine","Adenosine 5'-triphosphate 5'-adenosine","Adenosine(3)triphosphate adenosine","adenosine(5')triphospho(5')adenosine","Bis(Adenosine)-5'-triphosphate","P(1)-P(3)-bis(5'-adenosyl) triphosphate","P(1),P(3)-bis(5'-adenosyl) trihydrogen triphosphate","P(1),P(3)-bis(5'-adenosyl) triphosphate","P1,P3-Bis(5'-adenosyl) triphosphate"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"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":2982863,"citation":"Guranowski, A., Blanquet, S. (1985). \"Phosphorolytic cleavage of diadenosine 5',5'''-P1,P4-tetraphosphate. Properties of homogeneous diadenosine 5',5'''-P1,P4-tetraphosphate alpha, beta-phosphorylase from Saccharomyces cerevisiae.\" J Biol Chem 260:3542-3547."},{"pubmed_id":1653209,"citation":"Brevet, A., Chen, J., Fromant, M., Blanquet, S., Plateau, P. (1991). \"Isolation and characterization of a dinucleoside triphosphatase from Saccharomyces cerevisiae.\" J Bacteriol 173:5275-5279."}],"proteins":[{"created_at":"2011-05-26T18:38:53.000Z","updated_at":"2011-07-22T17:54:11.000Z","name":"Bis(5'-adenosyl)-triphosphatase","uniprot_id":"P49775","uniprot_name":"HNT2_YEAST","enzyme":true,"transporter":false,"gene_name":"HNT2","num_residues":206,"molecular_weight":"23541.59961","theoretical_pi":"7.9","general_function":"Involved in catalytic activity","specific_function":"Cleaves A-5'-PPP-5'A to yield AMP and ADP. Can cleave all dinucleoside polyphosphates, provided the phosphate chain contains at least 3 phosphates and that 1 of the 2 bases composing the nucleotide is a purine. Is most effective on dinucleoside triphosphates. Negatively regulates intracellular dinucleoside polyphosphate levels, which elevate following heat shock","reactions":[{"id":1324,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2544,"direction":"\u003e","locations":"Cytoplasm. Nucleus. Mitochondrion","altext":"P(1)-P(3)-bis(5'-adenosyl) triphosphate + H(2)O = ADP + AMP.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus. Mitochondrion","genbank_gene_id":"U28374","genbank_protein_id":"849222","gene_card_id":"HNT2","chromosome_location":"chromosome 4","locus":"YDR305C","synonyms":["AP3A hydrolase","AP3Aase","Diadenosine 5',5'''-P1,P3-triphosphate hydrolase","Dinucleosidetriphosphatase","Hit family protein 2"],"enzyme_classes":["3.6.1.29"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"HIT","identifier":"PF01230"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGATCTTAAGCAAAACAAAGAAACCTAAAAGCATGAATAAGCCAATATATTTCAGCAAGTTTCTTGTAACTGAACAAGTTTTCTATAAGTCAAAATATACGTATGCATTGGTAAACTTGAAACCAATTGTACCCGGACATGTACTGATCGTTCCACTGAGAACTACGGTTTTAAACTTATCAGATCTGACCATGCCTGAATCTCAAGATTATTTCAAGACTTTACAGTTAATACATAGATTTATTAAGTGGCAATATAAGGCTGACTCTATCAACGTTGCCATCCAAGATGGACCTGAGGCCGGACAGTCGGTACCCCACTTGCATACACACATTATTCCACGTTATAAAATAAACAATGTAGGGGATTTAATATACGATAAATTAGATCATTGGGATGGTAATGGGACTTTGACTGATTGGCAAGGAAGAAGAGACGAATATTTGGGTGTTGGTGGTAGGCAAGCAAGAAAAAATAACTCTACATCGGCCACTGTAGACGGGGATGAACTCTCACAAGGTCCTAATGTCTTGAAGCCAGACAGTCAAAGGAAGGTTCGAGCTTTAACCGAAATGAAAAAAGAAGCTGAGGATCTTCAAGCCAGACTAGAAGAATTTGTATCTTCTGATCCTGGTTTAACACAATGGTTATAG","protein_sequence":"MNKPIYFSKFLVTEQVFYKSKYTYALVNLKPIVPGHVLIVPLRTTVLNLSDLTMPESQDYFKTLQLIHRFIKWQYKADSINVAIQDGPEAGQSVPHLHTHIIPRYKINNVGDLIYDKLDHWDGNGTLTDWQGRRDEYLGVGGRQARKNNSTSATVDGDELSQGPNVLKPDSQRKVRALTEMKKEAEDLQARLEEFVSSDPGLTQWL"}]}