{"ymdb_id":"YMDB00012","created_at":"2011-05-29T15:48:23.000Z","updated_at":"2016-09-08T18:34:54.000Z","name":"Adenylsuccinic acid","cas":"19046-78-7","state":"Solid","melting_point":"","description":"Adenylsuccinic acid is a substrate of the enzyme adenylosuccinase [EC 4.3.2.2] in purine metabolism pathway.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":"Buck, Ildiko; Reese, Colin B.  An unambiguous synthesis of adenylosuccinic acid and its constituent nucleoside.    Journal of the Chemical Society, Perkin Transactions 1:  Organic and Bio-Organic Chemistry (1972-1999)  (1990),   (11),  2937-42. ","chebi_id":"15919","hmdb_id":"HMDB00536","kegg_id":"C03794","pubchem_id":"440122","cs_id":"389122","foodb_id":null,"wikipedia_link":"Adenylsuccinate","biocyc_id":null,"iupac":"2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid","traditional_iupac":"adenylosuccinate","logp":"-4.787805217899403","pka":"2.999502537171297","alogps_solubility":"2.38e+00 g/l","alogps_logp":"-1.96","alogps_logs":"-2.29","acceptor_count":"14","donor_count":"7","rotatable_bond_count":"9","polar_surface_area":"246.67999999999995","refractivity":"96.17579999999995","polarizability":"39.57213608075314","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"3.805329410066009","pka_strongest_acidic":"1.21756713563318","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["6-Succino-5'-adenylate","6-Succino-5'-adenylic acid","adenyl-Succinic acid","adenylosuccinate","adenylosuccinic acid","Adenylsuccinate","Adenylsuccinic acid","Aspartyl adenylate","Aspartyl adenylic acid","D-ribofuranosyl-9H-purin-6-yl) mono(dihydrogen phosphate) (ester)","D-ribofuranosyl)-9H-purin-6-yl]","N(6)-(1,2-dicarboxyethyl)-AMP","N6-(1,2-Dicarboxyethyl)-AMP","Succinyl AMP","Succinyladenosine 5'-monophosphate","Succinyladenosine monophosphorate","Succinyladenosine monophosphoric acid"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Alanine, aspartate and glutamate metabolism","kegg_map_id":"00250"}],"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":"2011-05-24T19:58:22.000Z","updated_at":"2011-07-22T17:54:01.000Z","name":"Adenylosuccinate synthetase","uniprot_id":"P80210","uniprot_name":"PURA_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE12","num_residues":433,"molecular_weight":"48279.10156","theoretical_pi":"8.37","general_function":"Involved in adenylosuccinate synthase activity","specific_function":"Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP","reactions":[{"id":1280,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2285,"direction":"\u003e","locations":"Cytoplasm","altext":"GTP + IMP + L-aspartate = GDP + phosphate + N(6)-(1,2-dicarboxyethyl)-AMP.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"L22185","genbank_protein_id":"347863","gene_card_id":"ADE12","chromosome_location":"chromosome 14","locus":"YNL220W","synonyms":["AMPSase","AS-synthetase","AdSS","IMP--aspartate ligase"],"enzyme_classes":["6.3.4.4"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" ligase activity, forming carbon-nitrogen bonds"},{"category":"Function","description":" magnesium ion binding"},{"category":"Function","description":" purine nucleotide binding"},{"category":"Function","description":" guanyl nucleotide binding"},{"category":"Function","description":" guanyl ribonucleotide binding"},{"category":"Function","description":" GTP binding"},{"category":"Function","description":" adenylosuccinate synthase activity"},{"category":"Function","description":" binding"},{"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"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"}],"pfams":[{"name":"Adenylsucc_synt","identifier":"PF00709"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Alanine, aspartate and glutamate metabolism","kegg_map_id":"00250"}],"gene_sequence":"ATGGTTAACGTTGTATTGGGCTCCCAATGGGGTGATGAGGGTAAAGGTAAACTAGTTGATTTACTGGTTGGTAAATATGATATTGTAGCCCGTTGCGCCGGTGGTAACAATGCCGGGCATACCATTGTTGTAGACGGTGTTAAGTATGATTTCCATATGTTACCATCTGGTTTAGTCAACCCAAACTGCCAAAACCTTTTGGGTAATGGTGTTGTTATTCATGTTCCATCTTTTTTCAAAGAGTTGGAAACCTTGGAAGCTAAAGGTTTGAAGAACGCAAGGAGTAGATTATTTGTTTCTTCCAGAGCACATTTAGTCTTTGACTTTCATCAGGTGACTGACAAGCTAAGAGAATTGGAGTTATCAGGTCGTTCTAAAGATGGTAAAAATATCGGTACTACCGGTAAAGGTATTGGTCCAACTTATTCCACAAAGGCTTCTAGATCTGGTTTGAGAGTTCATCATTTGGTGAATGATCAACCCGGTGCCTGGGAGGAATTTGTTGCTAGATATAAGAGATTATTGGAAACGAGAAGACAAAGATACGGTGATTTCGAATACGACTTTGAAGCCAAGCTTGCTGAATACAAGAAGTTAAGAGAGCAACTAAAGCCATTCGTCGTCGATTCTGTCGTTTTCATGCACAATGCTATTGAAGCAAAGAAAAAGATATTGGTTGAGGGTGCTAATGCTTTGATGTTGGATATTGATTTTGGTACTTATCCATATGTGACTTCTTCCAATACTGGTATTGGTGGTGTCCTCACCGGTTTAGGTATTCCTCCACGTACTATTGATGAAATTTATGGTGTTGTTAAAGCCTACACAACTAGAGTTGGTGAAGGTCCTTTCCCAACGGAACAATTGAACGAAAATGGAGAAAAACTGCAGACCATTGGTGCTGAATTTGGTGTCACTACTGGTCGTAAGCGTCGTTGCGGTTGGTTAGACTTGGTAGTCTTGAAATACTCAACTTTGATCAATGGATACACGAGTTTGAACATTACCAAGTTAGACGTCCTCGATACTTTCAAAGAAATCCCAGTGGGTATTTCATATTCTATTCAAGGTAAGAAGCTAGATTTGTTCCCTGAAGACTTGAATATTCTTGGTAAAGTTGAAGTTGAATACAAAGTTTTGCCAGGTTGGGATCAAGATATTACCAAAATTACAAAGTATGAAGATTTGCCGGAAAACGCAAAGAAGTACTTAAAATATATTGAAGATTTTGTTGGCGTTCCTGTTGAATGGGTTGGTACCGGCCCCGCAAGAGAAAGCATGTTGCATAAAGAAATTAAATAG","protein_sequence":"MVNVVLGSQWGDEGKGKLVDLLVGKYDIVARCAGGNNAGHTIVVDGVKYDFHMLPSGLVNPNCQNLLGNGVVIHVPSFFKELETLEAKGLKNARSRLFVSSRAHLVFDFHQVTDKLRELELSGRSKDGKNIGTTGKGIGPTYSTKASRSGLRVHHLVNDQPGAWEEFVARYKRLLETRRQRYGDFEYDFEAKLAEYKKLREQLKPFVVDSVVFMHNAIEAKKKILVEGANALMLDIDFGTYPYVTSSNTGIGGVLTGLGIPPRTIDEIYGVVKAYTTRVGEGPFPTEQLNENGEKLQTIGAEFGVTTGRKRRCGWLDLVVLKYSTLINGYTSLNITKLDVLDTFKEIPVGISYSIQGKKLDLFPEDLNILGKVEVEYKVLPGWDQDITKITKYEDLPENAKKYLKYIEDFVGVPVEWVGTGPARESMLHKEIK"},{"created_at":"2011-05-24T19:59:21.000Z","updated_at":"2011-07-22T17:54:01.000Z","name":"Adenylosuccinate lyase","uniprot_id":"Q05911","uniprot_name":"PUR8_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE13","num_residues":482,"molecular_weight":"54509.89844","theoretical_pi":"6.39","general_function":"Involved in catalytic activity","specific_function":"N(6)-(1,2-dicarboxyethyl)AMP = fumarate + AMP","reactions":[{"id":1279,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1281,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2286,"direction":"\u003e","locations":null,"altext":"N(6)-(1,2-dicarboxyethyl)AMP = fumarate + AMP.","export":false,"pw_reaction_id":null,"source":null},{"id":2287,"direction":"\u003e","locations":null,"altext":"(S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate = fumarate + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"U19103","genbank_protein_id":"609416","gene_card_id":"ADE13","chromosome_location":"chromosome 12","locus":"YLR359W","synonyms":["ASL","Adenylosuccinase","ASase"],"enzyme_classes":["4.3.2.2"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-nitrogen lyase activity"},{"category":"Function","description":" amidine-lyase activity"},{"category":"Function","description":" N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity"},{"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"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"},{"category":"Process","description":" purine ribonucleotide biosynthetic process"}],"pfams":[{"name":"ADSL_C","identifier":"PF10397"},{"name":"Lyase_1","identifier":"PF00206"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Alanine, aspartate and glutamate metabolism","kegg_map_id":"00250"}],"gene_sequence":"ATGCCTGACTATGACAATTACACTACGCCATTGTCTTCTAGATATGCCTCCAAGGAAATGTCAGCAACGTTTTCTTTGAGAAACAGATTTTCCACATGGAGAAAACTATGGTTAAATTTGGCTATTGCTGAGAAGGAATTGGGCTTAACTGTTGTTACAGATGAAGCAATTGAGCAAATGCGCAAACACGTCGAAATCACTGATGATGAAATCGCAAAAGCTTCTGCTCAAGAAGCCATTGTAAGACATGATGTTATGGCACATGTTCATACATTTGGTGAAACTTGTCCGGCTGCTGCGGGTATCATTCACTTAGGTGCTACTTCCTGTTTCGTTACAGACAATGCTGATCTAATCTTTATTAGGGACGCCTACGATATTATTATTCCAAAACTTGTTAACGTCATCAACAGATTGGCTAAGTTTGCTATGGAATACAAGGATTTGCCTGTATTGGGTTGGACTCACTTTCAACCAGCACAATTAACGACCTTGGGTAAGAGAGCTACTTTATGGATACAAGAGCTATTGTGGGATTTGAGAAACTTTGAAAGAGCTAGAAACGATATCGGTCTACGTGGTGTTAAGGGTACTACTGGTACTCAGGCATCATTCTTGGCCTTATTCCATGGTAATCATGATAAAGTTGAAGCCCTTGACGAAAGAGTAACTGAATTATTAGGTTTCGATAAGGTATATCCAGTCACTGGTCAAACCTACTCAAGAAAAATTGACATTGACGTGTTGGCTCCTTTGTCTTCTTTTGCTGCTACTGCACACAAAATGGCTACTGACATAAGATTATTAGCCAACCTGAAGGAAGTTGAGGAACCTTTTGAGAAATCACAAATCGGATCCTCTGCTATGGCTTACAAGAGAAACCCAATGCGTTGTGAGAGAGTGTGCTCCTTGGCTAGACACTTAGGTTCCTTGTTTAGTGACGCCGTTCAAACTGCATCCGTTCAATGGTTCGAAAGAACTCTGGATGATTCTGCTATTAGAAGAATTTCTTTACCAAGTGCATTTTTAACCGCAGATATTCTATTATCTACTTTGTTGAACATCTCATCCGGTTTAGTTGTGTATCCAAAGGTTATCGAAAGGAGAATTAAGGGTGAACTACCTTTTATGGCTACTGAAAATATCATCATGGCTATGGTAGAAAAGAATGCCTCCAGACAAGAAGTACATGAGCGTATTAGAGTGCTCTCTCATCAAGCCGCAGCAGTAGTCAAGGAAGAAGGTGGGGAAAATGATTTAATTGAACGAGTAAAGAGGGATGAATTTTTCAAGCCTATCTGGGAAGAATTAGATTCTTTACTGGAACCATCCACTTTTGTTGGTAGAGCTCCACAACAAGTTGAGAAATTTGTTCAAAAAGACGTTAACAATGCTTTACAACCTTTCCAAAAGTACCTAAACGATGAACAAGTCAAGTTAAATGTTTAG","protein_sequence":"MPDYDNYTTPLSSRYASKEMSATFSLRNRFSTWRKLWLNLAIAEKELGLTVVTDEAIEQMRKHVEITDDEIAKASAQEAIVRHDVMAHVHTFGETCPAAAGIIHLGATSCFVTDNADLIFIRDAYDIIIPKLVNVINRLAKFAMEYKDLPVLGWTHFQPAQLTTLGKRATLWIQELLWDLRNFERARNDIGLRGVKGTTGTQASFLALFHGNHDKVEALDERVTELLGFDKVYPVTGQTYSRKIDIDVLAPLSSFAATAHKMATDIRLLANLKEVEEPFEKSQIGSSAMAYKRNPMRCERVCSLARHLGSLFSDAVQTASVQWFERTLDDSAIRRISLPSAFLTADILLSTLLNISSGLVVYPKVIERRIKGELPFMATENIIMAMVEKNASRQEVHERIRVLSHQAAAVVKEEGGENDLIERVKRDEFFKPIWEELDSLLEPSTFVGRAPQQVEKFVQKDVNNALQPFQKYLNDEQVKLNV"}]}