{"ymdb_id":"YMDB00179","created_at":"2011-05-29T16:04:19.000Z","updated_at":"2016-09-08T18:35:08.000Z","name":"(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate","cas":null,"state":null,"melting_point":null,"description":"(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate is an intermediate in tryptophan biosynthesis pathway. [Biocyc TRPSYN-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"Cytoplasm","synthesis_reference":null,"chebi_id":"51793","hmdb_id":null,"kegg_id":"C03506","pubchem_id":"444150","cs_id":"24785614","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propoxy]phosphonic acid","traditional_iupac":"indole-3-glycerol phosphate","logp":"-0.07957787366666655","pka":"6.512307194345705","alogps_solubility":"3.87e+00 g/l","alogps_logp":"-0.21","alogps_logs":"-1.87","acceptor_count":"5","donor_count":"5","rotatable_bond_count":"5","polar_surface_area":"123.01000000000002","refractivity":"66.7583","polarizability":"25.406399582951295","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-3.4498355399329936","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":["(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate","(3-Indolyl)-glycerol phosphate","1-C-(Indol-3-yl)glycerol 3-phosphate","C1-(3-Indolyl)-glycerol 3-phosphate","Indole-3-glycerol phosphate","Indoleglycerol phosphate"],"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."}],"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":" tryptophan synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase 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":"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"}]}