{"ymdb_id":"YMDB00077","created_at":"2011-05-29T15:54:26.000Z","updated_at":"2016-09-08T18:34:59.000Z","name":"5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate","cas":"6001-14-5","state":"Solid","melting_point":"","description":"5-Amino-1-(5-phospho-D-ribosyl) imidazole-4-carboxylate is an intermediate in purine metabolism. It is converted from aminoimidazole ribotide via phosphoribosylaminoimidazole carboxylase [EC: 4.1.1.21].","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"28413","hmdb_id":"HMDB06273","kegg_id":"C04751","pubchem_id":"165388","cs_id":"144983","foodb_id":null,"wikipedia_link":null,"biocyc_id":"PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE","iupac":"5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid","traditional_iupac":"5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carboxylic acid","logp":"-3.7317525536992675","pka":"2.25890510038018","alogps_solubility":"2.81e+00 g/l","alogps_logp":"-2.05","alogps_logs":"-2.08","acceptor_count":"10","donor_count":"6","rotatable_bond_count":"5","polar_surface_area":"197.59","refractivity":"67.3199","polarizability":"28.489435960826928","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"7.112770228283477","pka_strongest_acidic":"1.1825891616118538","bioavailability":"1","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate","1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole","1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole","1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate","4-Carboxy-5-aminoimidazole ribonucleotide","5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid","5-amino-4-carboxyimidazole ribonucleotide","5-Amino-4-imidazolecarboxylic acid ribonucleotide","5-Aminoimidazole carboxilic acid ribonucleotice","5-Aminoimidazole-4-carboxilic acid ribonucleotide","5'-Phosphoribosyl-4-carboxy-5-aminoimidazole","5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate","5'Phosphoribosyl-4-carboxy-5-aminoimidazole","Carboxyaminoimidazole ribonucleotide"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"purine nucleotides de novo biosynthesis","kegg_map_id":null}],"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":"2011-05-26T16:59:39.000Z","updated_at":"2011-05-27T15:01:01.000Z","name":"Phosphoribosylaminoimidazole carboxylase","uniprot_id":"P21264","uniprot_name":"PUR6_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE2","num_residues":571,"molecular_weight":"62338.69922","theoretical_pi":"7.36","general_function":"Involved in phosphoribosylaminoimidazole carboxylase activity","specific_function":"5-amino-1-(5-phospho-D-ribosyl)imidazole-4- carboxylate = 5-amino-1-(5-phospho-D-ribosyl)imidazole + CO(2)","reactions":[{"id":1884,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2456,"direction":"\u003e","locations":null,"altext":"5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate = 5-amino-1-(5-phospho-D-ribosyl)imidazole + CO(2).","export":false,"pw_reaction_id":null,"source":null},{"id":14240,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006683","source":"Smpdb"},{"id":14241,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006686","source":"Smpdb"},{"id":14242,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006799","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"M59824","genbank_protein_id":"171003","gene_card_id":"ADE2","chromosome_location":"chromosome 15","locus":"YOR128C","synonyms":["AIR carboxylase","AIRC"],"enzyme_classes":["4.1.1.21"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" phosphoribosylaminoimidazole carboxylase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" carboxy-lyase activity"},{"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":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"},{"category":"Process","description":" purine nucleoside monophosphate biosynthetic process"},{"category":"Process","description":" purine ribonucleoside monophosphate biosynthetic process"},{"category":"Process","description":" IMP biosynthetic process"},{"category":"Process","description":" 'de novo' IMP biosynthetic 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"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"}],"pfams":[{"name":"AIRC","identifier":"PF00731"},{"name":"ATP-grasp","identifier":"PF02222"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"One Carbon Pool by Folate I","kegg_map_id":null}],"gene_sequence":"ATGGATTCTAGAACAGTTGGTATATTAGGAGGGGGACAATTGGGACGTATGATTGTTGAGGCAGCAAACAGGCTCAACATTAAGACGGTAATACTAGATGCTGAAAATTCTCCTGCCAAACAAATAAGCAACTCCAATGACCACGTTAATGGCTCCTTTTCCAATCCTCTTGATATCGAAAAACTAGCTGAAAAATGTGATGTGCTAACGATTGAGATTGAGCATGTTGATGTTCCTACACTAAAGAATCTTCAAGTAAAACATCCCAAATTAAAAATTTACCCTTCTCCAGAAACAATCAGATTGATACAAGACAAATATATTCAAAAAGAGCATTTAATCAAAAATGGTATAGCAGTTACCCAAAGTGTTCCTGTGGAACAAGCCAGTGAGACGTCCCTATTGAATGTTGGAAGAGATTTGGGTTTTCCATTCGTCTTGAAGTCGAGGACTTTGGCATACGATGGAAGAGGTAACTTCGTTGTAAAGAATAAGGAAATGATTCCGGAAGCTTTGGAAGTACTGAAGGATCGTCCTTTGTACGCCGAAAAATGGGCACCATTTACTAAAGAATTAGCAGTCATGATTGTGAGATCTGTTAACGGTTTAGTGTTTTCTTACCCAATTGTAGAGACTATCCACAAGGACAATATTTGTGACTTATGTTATGCGCCTGCTAGAGTTCCGGACTCCGTTCAACTTAAGGCGAAGTTGTTGGCAGAAAATGCAATCAAATCTTTTCCCGGTTGTGGTATATTTGGTGTGGAAATGTTCTATTTAGAAACAGGGGAATTGCTTATTAACGAAATTGCCCCAAGGCCTCACAACTCTGGACATTATACCATTGATGCTTGCGTCACTTCTCAATTTGAAGCTCATTTGAGATCAATATTGGATTTGCCAATGCCAAAGAATTTCACATCTTTCTCCACCATTACAACGAACGCCATTATGCTAAATGTTCTTGGAGACAAACATACAAAAGATAAAGAGCTAGAAACTTGCGAAAGAGCATTGGCGACTCCAGGTTCCTCAGTGTACTTATATGGAAAAGAGTCTAGACCTAACAGAAAAGTAGGTCACATAAATATTATTGCCTCCAGTATGGCGGAATGTGAACAAAGGCTGAACTACATTACAGGTAGAACTGATATTCCAATCAAAATCTCTGTCGCTCAAAAGTTGGACTTGGAAGCAATGGTCAAACCATTGGTTGGAATCATCATGGGATCAGACTCTGACTTGCCGGTAATGTCTGCCGCATGTGCGGTTTTAAAAGATTTTGGCGTTCCATTTGAAGTGACAATAGTCTCTGCTCATAGAACTCCACATAGGATGTCAGCATATGCTATTTCCGCAAGCAAGCGTGGAATTAAAACAATTATCGCTGGAGCTGGTGGGGCTGCTCACTTGCCAGGTATGGTGGCTGCAATGACACCACTTCCTGTCATCGGTGTGCCCGTAAAAGGTTCTTGTCTAGATGGAGTAGATTCTTTACATTCAATTGTGCAAATGCCTAGAGGTGTTCCAGTAGCTACCGTCGCTATTAATAATAGTACGAACGCTGCGCTGTTGGCTGTCAGACTGCTTGGCGCTTATGATTCAAGTTATACAACGAAAATGGAACAGTTTTTATTAAAGCAAGAAGAAGAAGTTCTTGTCAAAGCACAAAAGTTAGAAACTGTCGGTTACGAAGCTTATCTAGAAAACAAGTAA","protein_sequence":"MDSRTVGILGGGQLGRMIVEAANRLNIKTVILDAENSPAKQISNSNDHVNGSFSNPLDIEKLAEKCDVLTIEIEHVDVPTLKNLQVKHPKLKIYPSPETIRLIQDKYIQKEHLIKNGIAVTQSVPVEQASETSLLNVGRDLGFPFVLKSRTLAYDGRGNFVVKNKEMIPEALEVLKDRPLYAEKWAPFTKELAVMIVRSVNGLVFSYPIVETIHKDNICDLCYAPARVPDSVQLKAKLLAENAIKSFPGCGIFGVEMFYLETGELLINEIAPRPHNSGHYTIDACVTSQFEAHLRSILDLPMPKNFTSFSTITTNAIMLNVLGDKHTKDKELETCERALATPGSSVYLYGKESRPNRKVGHINIIASSMAECEQRLNYITGRTDIPIKISVAQKLDLEAMVKPLVGIIMGSDSDLPVMSAACAVLKDFGVPFEVTIVSAHRTPHRMSAYAISASKRGIKTIIAGAGGAAHLPGMVAAMTPLPVIGVPVKGSCLDGVDSLHSIVQMPRGVPVATVAINNSTNAALLAVRLLGAYDSSYTTKMEQFLLKQEEEVLVKAQKLETVGYEAYLENK"},{"created_at":"2011-05-26T17:21:27.000Z","updated_at":"2011-05-27T15:01:02.000Z","name":"Phosphoribosylaminoimidazole-succinocarboxamide synthase","uniprot_id":"P27616","uniprot_name":"PUR7_YEAST","enzyme":true,"transporter":false,"gene_name":"ADE1","num_residues":306,"molecular_weight":"34603.10156","theoretical_pi":"5.74","general_function":"Involved in ATP binding","specific_function":"ATP + 5-amino-1-(5-phospho-D- ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4- carboxamido)succinate","reactions":[{"id":1887,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2476,"direction":"\u003e","locations":null,"altext":"ATP + 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate + L-aspartate = ADP + phosphate + (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido)succinate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1OBG","cellular_location":null,"genbank_gene_id":"L22015","genbank_protein_id":"349755","gene_card_id":"ADE1","chromosome_location":"chromosome 1","locus":"YAR015W","synonyms":["SAICAR synthetase"],"enzyme_classes":["6.3.2.6"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" ligase activity, forming carbon-nitrogen bonds"},{"category":"Function","description":" acid-amino acid ligase activity"},{"category":"Function","description":" phosphoribosylaminoimidazolesuccinocarboxamide synthase activity"},{"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":" 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":"SAICAR_synt","identifier":"PF01259"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGTCAATTACGAAGACTGAACTGGACGGTATATTGCCATTGGTGGCCAGAGGTAAAGTTAGAGACATATATGAGGTAGACGCTGGTACGTTGCTGTTTGTTGCTACGGATCGTATCTCTGCATATGACGTTATTATGGAAAACAGCATTCCTGAAAAGGGGATCCTATTGACCAAACTGTCAGAGTTCTGGTTCAAGTTCCTGTCCAACGATGTTCGTAATCATTTGGTCGACATCGCCCCAGGTAAGACTATTTTCGATTATCTACCTGCAAAATTGAGCGAACCAAAGTACAAAACGCAACTAGAAGACCGCTCTCTATTGGTTCACAAACATAAACTAATTCCATTGGAAGTAATTGTCAGAGGCTACATCACCGGATCTGCTTGGAAAGAGTACGTAAAAACAGGTACTGTGCATGGTTTGAAACAACCTCAAGGACTTAAAGAATCTCAAGAGTTCCCAGAACCAATCTTCACCCCATCGACCAAGGCTGAACAAGGTGAACATGACGAAAACATCTCTCCTGCCCAGGCCGCTGAGCTGGTGGGTGAAGATTTGTCACGTAGAGTGGCAGAACTGGCTGTAAAACTGTACTCCAAGTGCAAAGATTATGCTAAGGAGAAGGGCATCATCATCGCAGACACTAAATTCGAATTCGGTATTGACGAAAAGACCAATGAAATTATTCTAGTGGACGAGGTGCTAACGCCAGACTCCTCTAGATTCTGGAACGGTGCCTCTTATAAGGTAGGAGAATCCCAAGATTCTTACGATAAGCAATTTTTAAGAGACTGGCTTACTGCTAATAAGTTGAACGGTGTTAACGGCGTCAAAATGCCCCAAGACATTGTCGACAGGACAAGGGCCAAATATATAGAGGCTTATGAAACATTGACAGGGTCTAAATGGTCTCACTAA","protein_sequence":"MSITKTELDGILPLVARGKVRDIYEVDAGTLLFVATDRISAYDVIMENSIPEKGILLTKLSEFWFKFLSNDVRNHLVDIAPGKTIFDYLPAKLSEPKYKTQLEDRSLLVHKHKLIPLEVIVRGYITGSAWKEYVKTGTVHGLKQPQGLKESQEFPEPIFTPSTKAEQGEHDENISPAQAAELVGEDLSRRVAELAVKLYSKCKDYAKEKGIIIADTKFEFGIDEKTNEIILVDEVLTPDSSRFWNGASYKVGESQDSYDKQFLRDWLTANKLNGVNGVKMPQDIVDRTRAKYIEAYETLTGSKWSH"}]}