{"ymdb_id":"YMDB00251","created_at":"2011-05-29T17:58:44.000Z","updated_at":"2016-09-08T18:35:14.000Z","name":"1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate","cas":"5962-18-5","state":null,"melting_point":null,"description":"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate is an intermediate in tryptophan biosynthesis. [Biocyc TRPSYN-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"29112","hmdb_id":null,"kegg_id":"C01302","pubchem_id":"446894","cs_id":"24784954","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}benzoic acid","traditional_iupac":"2-{[(3R,4R)-3,4-dihydroxy-2-oxo-5-(phosphonooxy)pentyl]amino}benzoic acid","logp":"-0.5022199484053262","pka":"4.600888907965788","alogps_solubility":"1.55e+00 g/l","alogps_logp":"-0.91","alogps_logs":"-2.35","acceptor_count":"9","donor_count":"6","rotatable_bond_count":"9","polar_surface_area":"173.62","refractivity":"77.7189","polarizability":"30.76095090784712","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"0.2737084817385371","pka_strongest_acidic":"1.4783402351175567","bioavailability":"1","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate","1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribulose"],"pathways":[{"name":"Phenylalanine, tyrosine and tryptophan biosynthesis","kegg_map_id":"00400"},{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"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."},{"pubmed_id":6323449,"citation":"Zalkin, H., Paluh, J. L., van Cleemput, M., Moye, W. S., Yanofsky, C. (1984). \"Nucleotide sequence of Saccharomyces cerevisiae genes TRP2 and TRP3 encoding bifunctional anthranilate synthase: indole-3-glycerol phosphate synthase.\" J Biol Chem 259:3985-3992."}],"proteins":[{"created_at":"2011-05-24T19:23:19.000Z","updated_at":"2011-05-27T14:55:57.000Z","name":"Anthranilate synthase component 2","uniprot_id":"P00937","uniprot_name":"TRPG_YEAST","enzyme":true,"transporter":false,"gene_name":"TRP3","num_residues":484,"molecular_weight":"53488.89844","theoretical_pi":"6.91","general_function":"Involved in catalytic activity","specific_function":"Chorismate + L-glutamine = anthranilate + pyruvate + L-glutamate","reactions":[{"id":1657,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2251,"direction":"\u003e","locations":"","altext":"Chorismate + L-glutamine = anthranilate + pyruvate + L-glutamate.","export":false,"pw_reaction_id":null,"source":null},{"id":2252,"direction":"\u003e","locations":null,"altext":"1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate = 1-C-(3-indolyl)-glycerol 3-phosphate + CO(2) + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":14103,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006527","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"K01386","genbank_protein_id":"173045","gene_card_id":"TRP3","chromosome_location":"chromosome 11","locus":"YKL211C","synonyms":["Anthranilate synthase component II","Glutamine amidotransferase","Indole-3-glycerol phosphate synthase","PRAI"],"enzyme_classes":["4.1.3.27","4.1.1.48"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" oxo-acid-lyase activity"},{"category":"Function","description":" anthranilate synthase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" carboxy-lyase activity"},{"category":"Function","description":" indole-3-glycerol-phosphate synthase activity"},{"category":"Process","description":" cellular amino acid derivative metabolic process"},{"category":"Process","description":" cellular biogenic amine metabolic process"},{"category":"Process","description":" indolalkylamine metabolic process"},{"category":"Process","description":" tryptophan metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" glutamine family amino acid metabolic process"},{"category":"Process","description":" glutamine metabolic process"},{"category":"Process","description":" biosynthetic process"}],"pfams":[{"name":"GATase","identifier":"PF00117"},{"name":"IGPS","identifier":"PF00218"}],"pathways":[{"name":"Phenylalanine, tyrosine and tryptophan biosynthesis","kegg_map_id":"00400"},{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"gene_sequence":"ATGTCTGTGCACGCTGCAACAAACCCAATCAATAAGCATGTGGTTCTAATTGACAACTACGATTCCTTTACCTGGAACGTTTACGAGTACTTGTGCCAGGAGGGCGCCAAAGTGAGCGTCTACCGTAACGATGCAATTACAGTTCCAGAAATTGCCGCCTTGAATCCCGACACATTGCTTATCTCGCCTGGACCAGGCCACCCAAAGACAGATTCTGGCATTTCAAGAGACTGTATCCGGTACTTTACTGGGAAAATTCCTGTATTTGGAATCTGTATGGGCCAGCAATGCATGTTTGACGTATTTGGTGGTGAAGTTGCCTACGCTGGTGAGATTGTCCACGGTAAAACGTCCCCAATCTCTCACGACAACTGTGGAATTTTCAGGAACGTGCCGCAAGGTATTGCTGTGACAAGATACCATTCATTGGCCGGGACAGAATCGTCCCTACCATCCTGCTTGAAGGTTACTGCGAGTACCGAAAATGGAATTATCATGGGTGTAAGACACAAGAAGTACACTGTAGAAGGTGTGCAATTTCATCCGGAATCCATCTTGACCGAGGAAGGTCATCTGATGATCAGGAACATTTTAAACGTCAGTGGAGGCACTTGGGAGGAAAACAAATCATCTCCTTCAAATTCTATTTTGGACCGTATCTATGCTCGGCGTAAAATAGACGTCAATGAGCAGTCTAAAATCCCAGGTTTCACCTTTCAAGACTTACAATCTAACTATGATTTAGGTCTTGCCCCACCGTTACAGGATTTCTACACGGTGTTGTCATCATCCCATAAAAGAGCCGTTGTTCTTGCTGAAGTCAAGCGTGCCTCTCCATCGAAGGGACCCATTTGTTTAAAAGCTGTTGCTGCTGAACAGGCTCTCAAATACGCAGAGGCTGGTGCATCCGCAATTTCCGTATTGACCGAACCTCATTGGTTTCACGGTTCGTTACAGGATTTAGTAAATGTGAGGAAAATCCTAGATTTGAAATTTCCTCCCAAGGAGAGGCCTTGTGTTTTGAGAAAAGAATTTATTTTCAGCAAGTATCAAATACTAGAAGCAAGATTAGCTGGAGCTGACACTGTCCTTCTTATAGTCAAGATGCTATCTCAACCCTTATTGAAGGAACTGTACAGCTACAGTAAAGATTTGAACATGGAACCTCTCGTTGAGGTGAACTCCAAAGAGGAATTACAAAGGGCTCTAGAAATTGGTGCTAAAGTTGTAGGTGTCAATAATAGGGACCTGCATTCATTCAACGTAGACCTAAATACCACCAGTAACTTGGTAGAATCTATTCCAAAGGATGTTCTTCTAATTGCTCTATCGGGAATTACCACCAGGGACGATGCTGAAAAATACAAAAAAGAAGGTGTCCATGGATTTTTAGTGGGTGAAGCCCTAATGAAATCAACCGATGTGAAGAAGTTCATTCATGAATTATGCGAATAA","protein_sequence":"MSVHAATNPINKHVVLIDNYDSFTWNVYEYLCQEGAKVSVYRNDAITVPEIAALNPDTLLISPGPGHPKTDSGISRDCIRYFTGKIPVFGICMGQQCMFDVFGGEVAYAGEIVHGKTSPISHDNCGIFKNVPQGIAVTRYHSLAGTESSLPSCLKVTASTENGIIMGVRHKKYTVEGVQFHPESILTEEGHLMIRNILNVSGGTWEENKSSPSNSILDRIYARRKIDVNEQSKIPGFTFQDLQSNYDLGLAPPLQDFYTVLSSSHKRAVVLAEVKRASPSKGPICLKAVAAEQALKYAEAGASAISVLTEPHWFHGSLQDLVNVRKILDLKFPPKERPCVLRKEFIFSKYQILEARLAGADTVLLIVKMLSQPLLKELYSYSKDLNMEPLVEVNSKEELQRALEIGAKVVGVNNRDLHSFNVDLNTTSNLVESIPKDVLLIALSGITTRDDAEKYKKEGVHGFLVGEALMKSTDVKKFIHELCE"},{"created_at":"2011-05-27T04:04:57.000Z","updated_at":"2011-05-27T15:01:22.000Z","name":"N-(5'-phosphoribosyl)anthranilate isomerase","uniprot_id":"P00912","uniprot_name":"TRPF_YEAST","enzyme":true,"transporter":false,"gene_name":"TRP1","num_residues":224,"molecular_weight":"24144.30078","theoretical_pi":"5.08","general_function":"Involved in catalytic activity","specific_function":"N-(5-phospho-beta-D-ribosyl)anthranilate = 1- (2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate","reactions":[{"id":1888,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2757,"direction":"\u003e","locations":null,"altext":"N-(5-phospho-beta-D-ribosyl)anthranilate = 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14105,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006529","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AJ585667","genbank_protein_id":"45719938","gene_card_id":"TRP1","chromosome_location":"chromosome 4","locus":"YDR007W","synonyms":["PRAI"],"enzyme_classes":["5.3.1.24"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" intramolecular oxidoreductase activity"},{"category":"Function","description":" intramolecular oxidoreductase activity, interconverting aldoses and ketoses"},{"category":"Function","description":" phosphoribosylanthranilate isomerase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" isomerase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular amino acid derivative metabolic process"},{"category":"Process","description":" cellular biogenic amine metabolic process"},{"category":"Process","description":" indolalkylamine metabolic process"},{"category":"Process","description":" tryptophan metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"}],"pfams":[{"name":"PRAI","identifier":"PF00697"}],"pathways":[{"name":"Phenylalanine, tyrosine and tryptophan biosynthesis","kegg_map_id":"00400"},{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"gene_sequence":"ATGTCTGTTATTAATTTCACAGGTAGTTCTGGTCCATTGGTGAAAGTTTGCGGCTTGCAGAGCACAGAGGCCGCAGAATGTGCTCTAGATTCCGATGCTGACTTGCTGGGTATTATATGTGTGCCCAATAGAAAGAGAACAATTGACCCGGTTATTGCAAGGAAAATTTCAAGTCTTGTAAAAGCATATAAAAATAGTTCAGGCACTCCGAAATACTTGGTTGGCGTGTTTCGTAATCAACCTAAGGAGGATGTTTTGGCTCTGGTCAATGATTACGGCATTGATATCGTCCAACTGCATGGAGATGAGTCGTGGCAAGAATACCAAGAGTTCCTCGGTTTGCCAGTTATTAAAAGACTCGTATTTCCAAAAGACTGCAACATACTACTCAGTGCAGCTTCACAGAAACCTCATTCGTTTATTCCCTTGTTTGATTCAGAAGCAGGTGGGACAGGTGAACTTTTGGATTGGAACTCGATTTCTGACTGGGTTGGAAGGCAAGAGAGCCCCGAAAGCTTACATTTTATGTTAGCTGGTGGACTGACGCCAGAAAATGTTGGTGATGCGCTTAGATTAAATGGCGTTATTGGTGTTGATGTAAGCGGAGGTGTGGAGACAAATGGTGTAAAAGACTCTAACAAAATAGCAAATTTCGTCAAAAATGCTAAGAAATAG","protein_sequence":"MSVINFTGSSGPLVKVCGLQSTEAAECALDSDADLLGIICVPNRKRTIDPVIARKISSLVKAYKNSSGTPKYLVGVFRNQPKEDVLALVNDYGIDIVQLHGDESWQEYQEFLGLPVIKRLVFPKDCNILLSAASQKPHSFIPLFDSEAGGTGELLDWNSISDWVGRQESPESLHFMLAGGLTPENVGDALRLNGVIGVDVSGGVETNGVKDSNKIANFVKNAKK"}]}