{"ymdb_id":"YMDB16277","created_at":"2016-09-12T18:31:43.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"1-C-(3-indolyl)-glycerol 3-phosphate","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":"(1S,2R)-1-(1H-indol-3-yl)-3-(phosphonooxy)propane-1,2-diol","traditional_iupac":"(1S,2R)-1-(1H-indol-3-yl)-3-(phosphonooxy)propane-1,2-diol","logp":"-0.07957787366666655","pka":"6.512307194345705","alogps_solubility":"2.05e+01 g/l","alogps_logp":"0.12","alogps_logs":"-1.19","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"5","polar_surface_area":"128.67","refractivity":"64.5149","polarizability":"25.602029285959254","formal_charge":"-2","physiological_charge":"-2","pka_strongest_basic":"-3.4498355399329927","pka_strongest_acidic":"1.4864854788381807","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T02:01:15.000Z","updated_at":"2011-05-27T15:01:16.000Z","name":"Tryptophan synthase","uniprot_id":"P00931","uniprot_name":"TRP_YEAST","enzyme":true,"transporter":false,"gene_name":"TRP5","num_residues":707,"molecular_weight":"76625.5","theoretical_pi":"6.47","general_function":"Involved in catalytic activity","specific_function":"L-serine + 1-C-(indol-3-yl)glycerol 3- phosphate = L-tryptophan + glyceraldehyde 3-phosphate + H(2)O","reactions":[{"id":2023,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2656,"direction":"\u003e","locations":null,"altext":"L-serine + 1-C-(indol-3-yl)glycerol 3-phosphate = L-tryptophan + glyceraldehyde 3-phosphate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":14106,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006531","source":"Smpdb"},{"id":14107,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006532","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"V01342","genbank_protein_id":"4674","gene_card_id":"TRP5","chromosome_location":"chromosome 7","locus":"YGL026C","synonyms":[],"enzyme_classes":["4.2.1.20"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase activity"},{"category":"Function","description":" tryptophan synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"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":"PALP","identifier":"PF00291"},{"name":"Trp_syntA","identifier":"PF00290"}],"pathways":[{"name":"Glycine, serine and threonine metabolism","kegg_map_id":"00260"},{"name":"Phenylalanine, tyrosine and tryptophan biosynthesis","kegg_map_id":"00400"},{"name":"Tryptophan metabolism","kegg_map_id":"00380"}],"gene_sequence":"ATGTCAGAACAACTCAGACAAACATTTGCTAACGCTAAAAAAGAAAACAGGAACGCCTTGGTCACATTTATGACCGCAGGTTACCCAACAGTCAAAGACACTGTCCCTATTCTCAAGGGTTTCCAGGATGGTGGTGTAGATATCATCGAATTGGGTATGCCCTTCTCTGATCCAATTGCAGATGGTCCTACAATTCAATTATCTAATACTGTGGCTTTGCAAAACGGTGTTACCTTGCCTCAAACTCTAGAAATGGTCTCCCAAGCTAGAAATGAAGGTGTTACCGTACCCATAATCCTAATGGGTTACTATAACCCTATTCTAAACTACGGTGAAGAAAGATTTATTCAGGACGCTGCCAAGGCTGGTGCTAATGGTTTTATCATCGTCGATTTGCCACCAGAGGAGGCGTTGAAGGTCAGAAACTACATCAATGATAATGGTTTGAGCCTGATCCCACTAGTGGCTCCTTCTACCACCGACGAAAGATTGGAATTACTATCACATATTGCCGATTCGTTTGTCTACGTTGTGTCTAGAATGGGTACTACTGGTGTTCAAAGTTCTGTGGCCAGTGATTTGGATGAACTCATCTCTAGAGTCAGAAAGTACACCAAGGATACTCCTTTGGCCGTTGGGTTTGGTGTCTCTACCAGAGAACATTTCCAATCAGTTGGTAGTGTTGCTGACGGTGTAGTGATTGGTTCCAAAATCGTCACATTATGTGGAGATGCTCCAGAGGGCAAAAGGTACGACGTTGCTAAGGAATATGTACAGGGAATTCTAAATGGTGCTAAGCATAAGGTTCTGTCCAAGGACGAATTCTTTGCCTTTCAAAAAGAGTCCTTGAAGTCCGCAAACGTTAAGAAGGAAATACTGGACGAATTTGATGAAAATCACAAGCACCCAATTAGATTTGGGGACTTTGGTGGTCAGTATGTCCCAGAAGCTCTTCATGCATGTCTAAGAGAGTTGGAAAAGGGTTTTGATGAAGCTGTCGCCGATCCCACATTCTGGGAAGACTTCAAATCCTTGTATTCTTATATTGGCCGTCCTTCTTCACTACACAAAGCTGAGAGATTAACTGAGCATTGTCAAGGTGCTCAAATCTGGTTGAAGAGAGAAGATCTTAACCACACGGGATCTCACAAGATCAACAATGCTTTAGCACAAGTTCTTCTAGCTAAAAGATTAGGCAAGAAGAACGTTATTGCTGAAACCGGTGCTGGTCAACACGGTGTTGCCACTGCCACTGCATGTGCTAAATTTGGCTTAACCTGTACTGTGTTCATGGGTGCAGAAGATGTTCGTCGCCAAGCTTTAAACGTCTTCAGAATGAGAATTCTCGGTGCTAAAGTAATTGCTGTTACTAATGGTACAAAGACTCTAAGAGACGCTACTTCAGAGGCATTCAGATTTTGGGTTACTAACTTGAAAACTACTTACTACGTCGTCGGTTCTGCCATTGGTCCTCACCCATATCCAACTTTGGTTAGAACTTTCCAAAGTGTCATTGGTAAAGAAACCAAGGAACAGTTTGCTGCCATGAACAATGGTAAATTACCTGACGCAGTTGTTGCATGTGTTGGGGGTGGTTCCAACTCTACAGGTATGTTTTCACCATTCGAGCATGATACTTCCGTTAAGTTATTGGGTGTGGAAGCCGGTGGTGATGGTGTAGATACAAAGTTCCACTCTGCTACTCTAACTGCCGGTAGACCTGGTGTCTTCCATGGTGTCAAGACTTATGTCTTGCAAGATAGTGATGGTCAAGTCCATGATACTCATTCTGTTTCTGCTGGGTTAGACTACCCAGGTGTCGGTCCAGAATTGGCATATTGGAAATCTACTGGCCGTGCTCAATTCATTGCAGCTACTGACGCTCAGGCTCTGCTTGGCTTTAAATTATTATCTCAATTAGAAGGTATTATTCCCGCTTTGGAATCTTCTCATGCTGTTTATGGCGCTTGCGAATTGGCTAAGACGATGAAGCCTGATCAACATTTGGTTATCAATATTTCTGGTAGAGGTGATAAAGATGTCCAAAGTGTCGCTGAAGTCTTGCCGAAATTAGGTCCAAAGATAGGTTGGGATTTGAGATTCGAAGAAGACCCATCTGCCTAA","protein_sequence":"MSEQLRQTFANAKKENRNALVTFMTAGYPTVKDTVPILKGFQDGGVDIIELGMPFSDPIADGPTIQLSNTVALQNGVTLPQTLEMVSQARNEGVTVPIILMGYYNPILNYGEERFIQDAAKAGANGFIIVDLPPEEALKVRNYINDNGLSLIPLVAPSTTDERLELLSHIADSFVYVVSRMGTTGVQSSVASDLDELISRVRKYTKDTPLAVGFGVSTREHFQSVGSVADGVVIGSKIVTLCGDAPEGKRYDVAKEYVQGILNGAKHKVLSKDEFFAFQKESLKSANVKKEILDEFDENHKHPIRFGDFGGQYVPEALHACLRELEKGFDEAVADPTFWEDFKSLYSYIGRPSSLHKAERLTEHCQGAQIWLKREDLNHTGSHKINNALAQVLLAKRLGKKNVIAETGAGQHGVATATACAKFGLTCTVFMGAEDVRRQALNVFRMRILGAKVIAVTNGTKTLRDATSEAFRFWVTNLKTTYYVVGSAIGPHPYPTLVRTFQSVIGKETKEQFAAMNNGKLPDAVVACVGGGSNSTGMFSPFEHDTSVKLLGVEAGGDGVDTKFHSATLTAGRPGVFHGVKTYVLQDSDGQVHDTHSVSAGLDYPGVGPELAYWKSTGRAQFIAATDAQALLGFKLLSQLEGIIPALESSHAVYGACELAKTMKPDQHLVINISGRGDKDVQSVAEVLPKLGPKIGWDLRFEEDPSA"}]}