{"ymdb_id":"YMDB00590","created_at":"2011-05-29T18:33:43.000Z","updated_at":"2016-09-08T18:35:39.000Z","name":"P(1),P(4)-bis(5'-adenosyl) tetraphosphate","cas":"117137-55-0","state":"Solid","melting_point":null,"description":"P1,P4-Bis(5'-adenosyl) tetraphosphate is an intermediate in purine metabolism. P1,P4-Bis(5'-adenosyl) tetraphosphate is the first to last step in the synthesis of adenosine 5'-triphosphate (ATP) and is converted from adenosine 5'-phosphosulfate via the enzyme ATP adenylyltransferase [EC 2.7.7.53].","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"-1.475","location":null,"synthesis_reference":null,"chebi_id":"17422","hmdb_id":"HMDB01211","kegg_id":"C01260","pubchem_id":"21706","cs_id":"20402","foodb_id":null,"wikipedia_link":null,"biocyc_id":"ADENOSYL-P4","iupac":"[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(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":"appppa","logp":"-9.537069301563317","pka":"1.7242334852204264","alogps_solubility":"5.59e+00 g/l","alogps_logp":"-0.71","alogps_logs":"-2.18","acceptor_count":"22","donor_count":"10","rotatable_bond_count":"14","polar_surface_area":"433.96999999999986","refractivity":"166.10379999999998","polarizability":"66.83463907642395","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.280079043411485","pka_strongest_acidic":"0.5901971354010653","bioavailability":"0","number_of_rings":"6","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["(ppA)2","5',5'''-Diadenosine tetraphosphate","A(5')p4(5')A","Adenosine 5'-tetraphosphate, 5'-ester with adenosine","adenosine-(5')-tetraphospho-(5')-adenosine","appppa","bis(5'-adenylyl) diphosphate","Diadenosine 5',5'''-P1,P4-tetraphosphate","P1,P4-Bis(5'-adenosyl) tetraphosphate","P1,P4-Di(adenosin-5'-yl)tetraphosphate","P1,P4-Diadenosine-5'-tetraphosphate"],"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":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":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."}],"proteins":[{"created_at":"2011-05-24T19:49:46.000Z","updated_at":"2011-07-22T17:54:14.000Z","name":"Protein APA1","uniprot_id":"P16550","uniprot_name":"APA1_YEAST","enzyme":true,"transporter":false,"gene_name":"APA1","num_residues":321,"molecular_weight":"36492.19922","theoretical_pi":"4.66","general_function":"Involved in ATP adenylyltransferase activity","specific_function":"Ap4A phosphorylase catabolizes Ap4N nucleotides (where N is A,C,G or U). Additionally this enzyme catalyzes the conversion of adenosine-5-phosphosulfate (AMPs) plus Pi to ADP plus sulfate, the exchange of NDP and phosphate and the synthesis of Ap4A from AMPs plus ATP","reactions":[{"id":1339,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1340,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1991,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2273,"direction":"\u003e","locations":"","altext":"ADP + ATP = phosphate + P(1),P(4)-bis(5'-adenosyl) tetraphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2274,"direction":"\u003e","locations":null,"altext":"ADP + sulfate = phosphate + adenylyl sulfate.","export":false,"pw_reaction_id":null,"source":null},{"id":2275,"direction":"\u003e","locations":null,"altext":"Adenylylsulfate + ATP = P(1),P(4)-bis(5'-adenosyl)tetraphosphate + sulfate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"M31791","genbank_protein_id":"171064","gene_card_id":"APA1","chromosome_location":"chromosome 3","locus":"YCL050C","synonyms":["5',5'''-P-1,P-4-tetraphosphate phosphorylase","ATP adenylyltransferase","Diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylase","AP,A phosphorylase","AP-4-A phosphorylase","ADP-sulfurylase"],"enzyme_classes":["2.7.7.53","2.7.7.5"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" nucleotidyltransferase activity"},{"category":"Function","description":" adenylyltransferase activity"},{"category":"Function","description":" ATP adenylyltransferase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"ATP_transf","identifier":"PF09830"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGAGTATCCCCGCTGACATTGCATCTTTAATTAGTGACAAGTACAAAAGTGCCTTCGATAATGGTAACTTAAAATTTATCCAGACTGAAACAACGAAAACAAAGGACCCAAAAACCAGCATGCCATACTTGATTAGTCACATGCCAAGTCTGATCGAAAAGCCAGAGCGTGGCCAAACTCCAGAAGGAGAGGATCCACTAGGCAAACCTGAGGAAGAATTAACGGTTATCCCAGAATTTGGTGGTGCCGATAACAAAGCGTATAAATTGCTATTAAACAAATTCCCTGTAATCCCTGAACACACTTTATTGGTAACTAACGAATACCAACATCAAACTGATGCCTTGACCCCAACCGATTTATTGACTGCTTATAAGTTGCTGTGTGCCTTGGACAATGAAGAATCCGACAAGAGACACATGGTCTTTTACAATTCTGGTCCAGCCAGTGGTTCTTCATTGGACCACAAACATTTGCAAATTCTGCAAATGCCTGAAAAGTTCGTCACTTTCCAAGATAGACTATGTAATGGTAAAGAACATTTCCTACCAACTTTCAATACTGAACCTTTGCAAGATGCTAAAGTCTCGTTCGCTCATTTTGTCTTGCCAATGCCGGAGTCTGAAGAAACTGTTGATGAAGACCTATTAGCTATGTGTTACATCTCCATATTGCAAAGAGCTTTGACCTTTTTCCAGGACTGGTTGAACGAAAATCCAGAACTAAAGAAATCCTACAATCTTATGTTAACCAAGGAATGGATCTGTGTCGTTCCACGCTCGAAGGCCTTTTCTGATGAAATGAAGATAGGTTTCAACTCCACAGGTTATTGTGGTATGATCTTAACCAAAAATGATGAAGTTTTCTCCAAGATTACTGAAAAACCTGAATTGATTAACGATATCTTATTGGAATGTGGTTTCCCAAACACTTCTGGTCAAAAACCAAACGAATACAACTATTGA","protein_sequence":"MSIPADIASLISDKYKSAFDNGNLKFIQTETTKTKDPKTSMPYLISHMPSLIEKPERGQTPEGEDPLGKPEEELTVIPEFGGADNKAYKLLLNKFPVIPEHTLLVTNEYQHQTDALTPTDLLTAYKLLCALDNEESDKRHMVFYNSGPASGSSLDHKHLQILQMPEKFVTFQDRLCNGKEHFLPTFNTEPLQDAKVSFAHFVLPMPESEETVDEDLLAMCYISILQRALTFFQDWLNENPELKKSYNLMLTKEWICVVPRSKAFSDEMKIGFNSTGYCGMILTKNDEVFSKITEKPELINDILLECGFPNTSGQKPNEYNY"},{"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"},{"created_at":"2011-05-26T21:50:14.000Z","updated_at":"2011-07-22T17:54:14.000Z","name":"5',5'''-P-1,P-4-tetraphosphate phosphorylase 2","uniprot_id":"P22108","uniprot_name":"APA2_YEAST","enzyme":true,"transporter":false,"gene_name":"APA2","num_residues":325,"molecular_weight":"36840.5","theoretical_pi":"5.23","general_function":"Involved in ATP adenylyltransferase activity","specific_function":"Sustains the catabolism of Np-4-N' nucleotides, rather than their synthesis","reactions":[{"id":1338,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2273,"direction":"\u003e","locations":"","altext":"ADP + ATP = phosphate + P(1),P(4)-bis(5'-adenosyl) tetraphosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"M60265","genbank_protein_id":"171066","gene_card_id":"APA2","chromosome_location":"chromosome 4","locus":"YDR530C","synonyms":["ATP adenylyltransferase","Ap4A phosphorylase II","AP,A phosphorylase","Diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylase","AP-4-A phosphorylase"],"enzyme_classes":["2.7.7.53"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" nucleotidyltransferase activity"},{"category":"Function","description":" adenylyltransferase activity"},{"category":"Function","description":" ATP adenylyltransferase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"ATP_transf","identifier":"PF09830"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGATTGAAGAGAATTTGAAACAGAAAATCCACGATAAGTTCGTTGCAGCCAAAAAGAATGGGCATCTGAAAGTAACGCATGCAGAATCCAAGAAGTTGAAAGATCCTCAAACGACGACACAATATTGGGTGACATTTGCTCCATCTTTGGCACTTAAGCCAGACGCTAACAAGAATAGCGATTCAAAGGCGGAGGACCCGTTCGCCAATCCCGACGAAGAACTAGTGGTGACTGAAGATCTAAATGGTGACGGAGAATATAAGCTGCTACTCAACAAATTTCCTGTGGTCCCTGAACATAGTCTCCTAGTGACAAGCGAGTTTAAAGACCAGAGATCTGCTTTGACGCCAAGTGACTTGATGACTGCTTATAATGTGCTCTGTTCTCTCCAAGGAGACAAGGACGATGATGTCACTTGTGAAAGGTATCTGGTCTTTTATAATTGTGGACCTCATAGCGGTTCCTCACAAGATCACAAACACTTGCAGATCATGCAAATGCCTGAAAAATTTATACCTTTTCAGGACGTATTGTGCAACGGAAAGGATCATTTCTTGCCCACCTTCAACGCAGAGCCATTACAAGATGATAAGGTTTCCTTTGCTCATTTCGTCTTGCCGCTGCCGGAATCGTCTGATCAAGTGGACGAAGATCTTCTTGCTATGTGTTACGTATCTTTGATGCAGAGAGCACTTACATTTTTCCAAGATTGGACCAATGAGTCTCCGGAGTTGACCAAGTCATACAATGTGCTACTGACCAAGAAATGGATCTGTGTAGTTCCAAGATCGCATGCCAAGAGTGGACCGCCATTGATGTTAAACATTAACTCCACGGGGTACTGTGGTATGATCCTCGTTAAAGACAGAGAAAAACTAGAGAACCTCACTGAAGATCCTCATCTTGTGGACAAGTCGTTACTGCAATGCGGTTTCCCCAACACAGCAGGCCAAAAACCAACAGAGTATCACTATTAA","protein_sequence":"MIEENLKQKIHDKFVAAKKNGHLKVTHAESKKLKDPQTTTQYWVTFAPSLALKPDANKNSDSKAEDPFANPDEELVVTEDLNGDGEYKLLLNKFPVVPEHSLLVTSEFKDQRSALTPSDLMTAYNVLCSLQGDKDDDVTCERYLVFYNCGPHSGSSQDHKHLQIMQMPEKFIPFQDVLCNGKDHFLPTFNAEPLQDDKVSFAHFVLPLPESSDQVDEDLLAMCYVSLMQRALTFFQDWTNESPELTKSYNVLLTKKWICVVPRSHAKSGPPLMLNINSTGYCGMILVKDREKLENLTEDPHLVDKSLLQCGFPNTAGQKPTEYHY"}]}