{"ymdb_id":"YMDB00599","created_at":"2011-05-29T18:34:35.000Z","updated_at":"2016-09-08T18:35:40.000Z","name":"P(1)-(5'-adenosyl),P(4)-(5'-guanosyl) tetraphosphate","cas":null,"state":null,"melting_point":null,"description":"P(1)-(5'-adenosyl),P(4)-(5'-guanosyl) tetraphosphate (AP4G) is converted to GTP and GMP by the Ap(4)A hydrolase. It is believed that nucleoides of this class are regulatory nucleotides, since their intracellular concentration greatly depends on the physiological state of the cell. [PMID: 2556364]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"52968","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"8947177","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-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)(hydroxy)phosphoryl]oxy})phosphinic acid","traditional_iupac":"[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-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)oxy(hydroxy)phosphoryl]oxyphosphinic acid","logp":"-8.432029154314492","pka":"1.6730862145143544","alogps_solubility":"6.50e+00 g/l","alogps_logp":"-0.40","alogps_logs":"-2.12","acceptor_count":"23","donor_count":"11","rotatable_bond_count":"14","polar_surface_area":"449.64999999999986","refractivity":"167.09589999999994","polarizability":"68.65787530300975","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"4.998791701627005","pka_strongest_acidic":"0.5964125225478187","bioavailability":"0","number_of_rings":"6","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["A(5')p4(5')G","P1-(5'-Adenosyl)-P5-(5'-guanosyl) pentaphosphate"],"pathways":[],"growth_conditions":[],"references":[{"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."},{"pubmed_id":2556364,"citation":"Plateau, P., Fromant, M., Schmitter, J. M., Buhler, J. M., Blanquet, S. (1989). \"Isolation, characterization, and inactivation of the APA1 gene encoding yeast diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylase.\" J Bacteriol 171:6437-6445."}],"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"}]}