{"ymdb_id":"YMDB16253","created_at":"2016-09-12T18:29:18.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"4-amino-4-deoxychorismate","cas":null,"state":null,"melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-{[(1R,6R)-6-amino-3-carboxycyclohexa-2,4-dien-1-yl]oxy}prop-2-enoate","traditional_iupac":"2-{[(1R,6R)-6-amino-3-carboxycyclohexa-2,4-dien-1-yl]oxy}prop-2-enoate","logp":"-2.7948315736268627","pka":"4.0640300536636245","alogps_solubility":"1.77e+01 g/l","alogps_logp":"-1.88","alogps_logs":"-1.14","acceptor_count":"6","donor_count":"2","rotatable_bond_count":"4","polar_surface_area":"112.68","refractivity":"66.80470000000001","polarizability":"20.25339934557646","formal_charge":"-1","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":[],"pathways":[{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[],"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":" 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":" catalytic activity"},{"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"},{"category":"Process","description":" glutamine family amino acid metabolic process"},{"category":"Process","description":" glutamine metabolic process"},{"category":"Process","description":" 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"}]}