{"ymdb_id":"YMDB00314","created_at":"2011-05-29T18:05:22.000Z","updated_at":"2016-09-08T18:35:20.000Z","name":"4-amino-4-deoxychorismic acid","cas":null,"state":null,"melting_point":null,"description":"4-Amino-4-deoxychorismic acid is a metabolite of chorismate in the p-aminobenzoate biosynthesis pathway. This pathway leads to the tetrahydrofolate biosynthesis pathway. Tetrahydrofolate (vitamin B9) is the parent structure of the large family of folates coenzymes. Folates are essential cofactors that facilitate the transfer of one-carbon units from donor molecules into important biosynthetic pathways leading to methionine, purine, and pyrimidine biosynthesis. [Biocyc PWY-6543 and PWY-6614]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm","synthesis_reference":null,"chebi_id":"18198","hmdb_id":null,"kegg_id":"C11355","pubchem_id":"443142","cs_id":"391414","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3R,4R)-4-amino-3-[(1-carboxyeth-1-en-1-yl)oxy]cyclohexa-1,5-diene-1-carboxylic acid","traditional_iupac":"4-amino-4-deoxychorismic acid","logp":"-2.7948315736268627","pka":"4.0640300536636245","alogps_solubility":"1.16e+01 g/l","alogps_logp":"-2.33","alogps_logs":"-1.29","acceptor_count":"6","donor_count":"3","rotatable_bond_count":"4","polar_surface_area":"109.85000000000002","refractivity":"55.967600000000004","polarizability":"20.91348894694996","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"9.118419006317595","pka_strongest_acidic":"3.236193593310046","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-Amino-4-deoxychorismate","ADC"],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate 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":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":"2011-05-24T19:41:28.000Z","updated_at":"2011-07-22T17:53:48.000Z","name":"Aminodeoxychorismate synthase","uniprot_id":"P37254","uniprot_name":"PABS_YEAST","enzyme":true,"transporter":false,"gene_name":"ABZ1","num_residues":787,"molecular_weight":"88543.5","theoretical_pi":"5.55","general_function":"Involved in biosynthetic process","specific_function":"Catalyzes the biosynthesis of 4-amino-4-deoxychorismate (ADC) from chorismate and glutamine. Required for the synthesis of 4-aminobenzoate (PABA), an important component in tetrahydrofolate biosynthesis","reactions":[{"id":1189,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2264,"direction":"\u003e","locations":"Cytoplasm","altext":"Chorismate + L-glutamine = 4-amino-4-deoxychorismate + L-glutamate.","export":false,"pw_reaction_id":null,"source":null},{"id":4145,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006446","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"AY693029","genbank_protein_id":"51013509","gene_card_id":"ABZ1","chromosome_location":"chromosome 14","locus":"YNR033W","synonyms":["ADC synthase","P-aminobenzoic acid synthase","PABA synthase","Para-aminobenzoate synthase"],"enzyme_classes":["2.6.1.85"],"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":"Process","description":" glutamine family amino acid metabolic process"},{"category":"Process","description":" glutamine metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic 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"}],"pfams":[{"name":"GATase","identifier":"PF00117"},{"name":"Anth_synt_I_N","identifier":"PF04715"},{"name":"Chorismate_bind","identifier":"PF00425"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGCTGTCCGATACAATTGACACAAAGCAACAACAGCAACAGCTTCATGTCCTGTTCATAGACTCTTATGATTCATTCACCTACAATGTAGTGAGACTAATTGAACAACAAACTGATATCTCACCGGGAGTCAACGCCGTGCACGTGACGACGGTACATAGTGATACGTTCCAATCTATGGATCAGCTATTGCCACTTTTGCCGCTTTTTGATGCTATCGTTGTTGGCCCAGGACCTGGGAATCCCAACAATGATGCACAAGATATGGGTATAATATCTGAGCTTTTCGAGAATGCCAATGGAAAGTTAGATGAAGTTCCAATATTGGGTATATGTCTTGGGTTCCAAGCAATGTGCTTGGCTCAAGGTGCTGATGTCAGTGAGCTAAATACTATCAAGCATGGGCAAGTGTATGAAATGCATTTAAACGATGCAGCCAGAGCTTGTGGCCTTTTTTCTGGTTATCCCGATACGTTCAAATCTACGAGGTACCATTCATTGCATGTCAATGCCGAAGGCATTGACACCCTTTTGCCCTTATGCACAACCGAAGATGAGAACGGTATTCTTTTGATGAGTGCTCAAACGAAAAATAAGCCATGGTTTGGCGTACAGTACCACCCGGAGTCATGTTGTTCAGAATTGGGGGGGCTGTTAGTCAGTAACTTTCTCAAGTTGAGTTTCATAAATAACGTGAAGACAGGAAGGTGGGAAAAGAAGAAACTTAATGGAGAGTTTTCCGATATCCTATCTCGATTGGATAGGACTATTGATAGAGACCCCATATACAAGGTAAAAGAGAAATATCCGAAGGGCGAGGACACAACTTACGTTAAGCAGTTCGAGGTCTCTGAAGACCCGAAATTGACATTTGAAATTTGCAACATCATACGAGAAGAAAAATTTGTCATGTCATCTTCTGTGATTAGTGAAAATACGGGTGAATGGTCTATCATTGCTTTACCAAACTCCGCATCCCAGGTATTCACTCATTATGGAGCTATGAAAAAGACTACAGTTCATTATTGGCAAGATAGTGAAATTAGTTACACCTTGTTGAAAAAGTGTCTAGATGGTCAAGATTCGGATTTGCCTGGCTCCCTTGAGGTAATACATGAAGATAAATCCCAATTTTGGATCACTTTGGGTAAATTTATGGAGAATAAAATAATCGATAACCACAGAGAAATACCTTTTATTGGAGGTCTTGTTGGCATTTTAGGTTATGAAATAGGTCAGTACATTGCATGCGGCCGTTGCAATGATGATGAGAATTCCCTTGTTCCCGACGCCAAACTAGTTTTTATCAACAATAGTATAGTCATTAATCACAAGCAAGGGAAGCTTTATTGTATTTCTCTGGATAATACATTTCCAGTGGCATTAGAACAATCATTAAGGGACAGTTTTGTTAGAAAGAAGAATATTAAGCAATCCCTGTCCTGGCCCAAGTATCTTCCAGAGGAGATAGACTTCATTATAACTATGCCCGATAAACTTGACTACGCTAAGGCGTTTAAGAAATGTCAGGATTATATGCATAAGGGTGATTCTTATGAAATGTGTCTCACAACGCAAACCAAAGTTGTACCATCTGCGGTGATAGAACCCTGGAGGATTTTCCAGACCTTGGTACAAAGAAACCCGGCTCCATTTTCAAGTTTTTTTGAGTTTAAAGACATTATTCCCCGCCAAGATGAAACGCCTCCAGTTTTGTGCTTCTTAAGTACTTCTCCAGAAAGGTTTTTGAAGTGGGATGCAGACACATGCGAGCTACGTCCCATCAAGGGAACTGTGAAAAAAGGACCGCAAATGAACTTGGCAAAAGCCACACGAATCCTGAAGACACCAAAAGAATTTGGTGAGAACTTAATGATTTTGGACTTAATCAGAAATGACCTTTACGAGTTGGTTCCTGACGTTCGGGTGGAGGAGTTCATGTCCGTGCAAGAATATGCCACCGTTTACCAACTCGTTAGCGTCGTAAAGGCACATGGATTGACCTCTGCCAGTAAGAAGACGAGATATTCAGGCATTGATGTCCTTAAACACTCGCTTCCTCCGGGATCTATGACGGGAGCCCCCAAGAAGATTACTGTGCAATTATTGCAGGACAAGATAGAAAGCAAGCTAAACAAACATGTCAATGGTGGAGCACGTGGTGTTTACAGCGGTGTCACGGGATATTGGTCTGTGAATTCCAACGGAGATTGGTCTGTTAACATTAGATGTATGTATTCCTACAACGGCGGAACCAGCTGGCAACTCGGTGCAGGGGGGGCCATAACAGTCTTAAGCACACTAGATGGCGAACTAGAGGAAATGTACAACAAGTTGGAGAGCAACTTACAAATTTTCATGTAG","protein_sequence":"MLSDTIDTKQQQQQLHVLFIDSYDSFTYNVVRLIEQQTDISPGVNAVHVTTVHSDTFQSMDQLLPLLPLFDAIVVGPGPGNPNNGAQDMGIISELFENANGKLDEVPILGICLGFQAMCLAQGADVSELNTIKHGQVYEMHLNDAARACGLFSGYPDTFKSTRYHSLHVNAEGIDTLLPLCTTEDENGILLMSAQTKNKPWFGVQYHPESCCSELGGLLVSNFLKLSFINNVKTGRWEKKKLNGEFSDILSRLDRTIDRDPIYKVKEKYPKGEDTTYVKQFEVSEDPKLTFEICNIIREEKFVMSSSVISENTGEWSIIALPNSASQVFTHYGAMKKTTVHYWQDSEISYTLLKKCLDGQDSDLPGSLEVIHEDKSQFWITLGKFMENKIIDNHREIPFIGGLVGILGYEIGQYIACGRCNDDENSLVPDAKLVFINNSIVINHKQGKLYCISLDNTFPVALEQSLRDSFVRKKNIKQSLSWPKYLPEEIDFIITMPDKLDYAKAFKKCQDYMHKGDSYEMCLTTQTKVVPSAVIEPWRIFQTLVQRNPAPFSSFFEFKDIIPRQDETPPVLCFLSTSPERFLKWDADTCELRPIKGTVKKGPQMNLAKATRILKTPKEFGENLMILDLIRNDLYELVPDVRVEEFMSVQEYATVYQLVSVVKAHGLTSASKKTRYSGIDVLKHSLPPGSMTGAPKKITVQLLQDKIESKLNKHVNGGARGVYSGVTGYWSVNSNGDWSVNIRCMYSYNGGTSWQLGAGGAITVLSTLDGELEEMYNKLESNLQIFM"},{"created_at":"2011-05-29T04:45:54.000Z","updated_at":"2011-07-22T17:53:48.000Z","name":"Aminodeoxychorismate lyase","uniprot_id":"Q03266","uniprot_name":"PABC_YEAST","enzyme":true,"transporter":false,"gene_name":"ABZ2","num_residues":374,"molecular_weight":"42639.39844","theoretical_pi":"5.53","general_function":"Involved in catalytic activity","specific_function":"Converts 4-amino-4-deoxychorismate into 4-aminobenzoate (PABA) and pyruvate","reactions":[{"id":1191,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2848,"direction":"\u003e","locations":"Cytoplasm","altext":"4-amino-4-deoxychorismate = 4-aminobenzoate + pyruvate.","export":false,"pw_reaction_id":null,"source":null},{"id":4144,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006445","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"ABZ2","chromosome_location":"chromosome 13","locus":"YMR289W","synonyms":["4-amino-4-deoxychorismate lyase","ADC lyase","ADCL"],"enzyme_classes":["4.1.3.38"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Aminotran_4","identifier":"PF01063"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGTCACTAATGGACAATTGGAAGACTGATATGGAAAGTTACGATGAAGGAGGCCTAGTTGCTAATCCGAACTTCGAGGTTCTGGCCACTTTCAGGTACGACCCTGGTTTTGCACGCCAGTCAGCGTCAAAGAAAGAGATCTTTGAAACTCCAGACCCTCGATTAGGTTTGAGAGACGAAGATATTAGGCAGCAGATAATTAATGAGGATTACTCAAGTTATTTACGAGTAAGGGAGGTTAATTCCGGCGGTGACCTTCTCGAAAATATTCAGCATCCTGATGCTTGGAAGCATGATTGCAAGACCATTGTGTGCCAGCGTGTAGAAGATATGCTACAAGTCATTTATGAACGATTTTTTTTATTAGATGAACAATACCAAAGAATAAGAATAGCATTATCATACTTTAAAATTGACTTCAGCACGTCTCTGAATGATTTATTGAAGTTATTGGTTGAAAACTTGATTAATTGTAAAGAAGGAAATTCAGAGTATCACGAAAAAATTCAAAAAATGATCAACGAAAGGCAATGCTATAAAATGCGGGTACTTGTCTCTAAGACAGGAGATATACGAATTGAGGCAATTCCAATGCCTATGGAGCCTATCCTAAAATTAACAACCGATTATGACAGTGTTTCCACATACTTCATCAAAACGATGCTCAATGGATTTTTAATTGATAGCACAATAAATTGGGATGTTGTTGTTTCATCTGAACCATTGAACGCATCAGCTTTCACCAGTTTTAAAACCACTTCAAGAGATCATTACGCTAGGGCGAGAGTTCGCATGCAAACTGCTATAAATAACTTAAGAGGTTCAGAACCTACTTCTTCTGTCTCGCAATGCGAAATTTTATTTTCCAACAAATCTGGCCTGCTGATGGAAGGTTCAATAACAAACGTGGCTGTAATTCAAAAAGATCCTAACGGTTCTAAAAAGTATGTGACACCAAGATTAGCAACTGGATGTTTGTGCGGAACAATGCGTCATTATTTATTGCGGCTCGGCCTTATTGAAGAGGGAGATATAGATATAGGAAGCCTTACCGTTGGCAACGAAGTTTTGCTTTTCAATGGCGTCATGGGATGCATAAAGGGAACAGTGAAGACAAAATATTGA","protein_sequence":"MSLMDNWKTDMESYDEGGLVANPNFEVLATFRYDPGFARQSASKKEIFETPDPRLGLRDEDIRQQIINEDYSSYLRVREVNSGGDLLENIQHPDAWKHDCKTIVCQRVEDMLQVIYERFFLLDEQYQRIRIALSYFKIDFSTSLNDLLKLLVENLINCKEGNSEYHEKIQKMINERQCYKMRVLVSKTGDIRIEAIPMPMEPILKLTTDYDSVSTYFIKTMLNGFLIDSTINWDVVVSSEPLNASAFTSFKTTSRDHYARARVRMQTAINNLRGSEPTSSVSQCEILFSNKSGLLMEGSITNVAVIQKDPNGSKKYVTPRLATGCLCGTMRHYLLRLGLIEEGDIDIGSLTVGNEVLLFNGVMGCIKGTVKTKY"}]}