{"ymdb_id":"YMDB16131","created_at":"2016-09-12T18:13:25.000Z","updated_at":"2016-10-17T22:34:41.000Z","name":"Inositol 1,3,4-trisphosphate","cas":null,"state":"Solid","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,3R,4S,5S,6S)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid","traditional_iupac":"inositol 1,3,4-trisphosphate","logp":"-4.152707746","pka":"1.036823557327442","alogps_solubility":"1.48e+01 g/l","alogps_logp":"-0.86","alogps_logs":"-1.45","acceptor_count":"12","donor_count":"9","rotatable_bond_count":"6","polar_surface_area":"260.96999999999997","refractivity":"68.3937","polarizability":"29.73090563322279","formal_charge":"0","physiological_charge":"-6","pka_strongest_basic":"-3.6688996734755257","pka_strongest_acidic":"0.5363206524866495","bioavailability":"0","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Inositol Metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-27T08:00:14.000Z","updated_at":"2011-05-27T15:01:29.000Z","name":"Inositol-1,4,5-trisphosphate 5-phosphatase 1","uniprot_id":"P40559","uniprot_name":"INP51_YEAST","enzyme":true,"transporter":false,"gene_name":"INP51","num_residues":946,"molecular_weight":"108429.0","theoretical_pi":"6.7","general_function":"Involved in inositol or phosphatidylinositol phosphatase activity","specific_function":"Controls the cellular levels and subcellular distribution of phosphatidylinositol 3-phosphate and phosphatidylinositol 4,5-bisphosphate. Plays an essential role in a TGN (trans Golgi network)-to-early endosome pathway. Involved in endocytosis and acts as a negative regulator of the Slm pathway which modulates polarized actin assembly and growth","reactions":[{"id":1847,"direction":"\u003c\u003e","locations":"endoplasmic reticulum;cytoplasm;cell envelope","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1848,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2788,"direction":"\u003e","locations":"Cytoplasm.;Cytoplasm, cytoskeleton, actin patch; Cytoplasmic side;Endoplasmic reticulum membrane; Peripheral membrane protein","altext":"1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate + H(2)O = 1-phosphatidyl-1D-myo-inositol 4-phosphate + phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14838,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007015","source":"Smpdb"},{"id":14839,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007021","source":"Smpdb"},{"id":14840,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007039","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm, cytoskeleton, actin patch","genbank_gene_id":"Z38062","genbank_protein_id":"557848","gene_card_id":"INP51","chromosome_location":"chromosome 9","locus":"YIL002C","synonyms":["Synaptojanin-like protein 1"],"enzyme_classes":["3.1.3.36"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" phosphoric ester hydrolase activity"},{"category":"Function","description":" phosphatase activity"},{"category":"Function","description":" inositol or phosphatidylinositol phosphatase activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"Exo_endo_phos","identifier":"PF03372"},{"name":"Syja_N","identifier":"PF02383"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"gene_sequence":"ATGAGACTCTTCATCGGTAGAAGATCACGGTCGATTGTAATATCTTCCAACAACTACTGTTTATCCTTCCAGCGTTTGCGCAGCATACCAGGTGCCAGTTCTCAGCAGCGTCAATTAAGTAAAACTCCTAGCGTAACAATCAAGTCCTACCCTGACACAGATCTTTCAAGTGATAGTAACTATCTCGAAGTCAAAAGTTGCATATTTAATGGATTATTAGGGCTCGTTTGTCTTAATGGTGATATATATGTTGCCGTCATATCTGGTGTTCAGAATGTTGGGTTTCCTCGATGGAAACTGATAGATCATCAAGTTAGGCCTTCGGAGAGCATTTATAAAGTATTGGATGTTGACTTTTACAGCTTAGAAAATGATGTTTTCGACTACCTCCTCTGCGAGAGATCAGAGCAAAACTATGATAAATTGATTCATGAGCATCCTTGCGGCCCCCTGAAAAAACTGTTTAGTGATGGAACATTCTACTATTCTAGAGATTTCGACATCTCTAATATCGTGAAAAACCATGGTTTATCACATAACTTAGAATATACCGTAGATAATCAAGATTTATCATTTATTTGGAATGCTAACTTAGCAAGTGAGGTAATCAACTGGAGAAGCAAGATTTCAAATGAGGAGAAACAACTTTTTGCCAACGCAGGGTTCTTAACATTTGTAATTCGGGGTTATTGCAAGACAGCATTAATAGAAGACGGCCCAAATACAGCCTCTATAACCATTATTTCCAGAATTTCGACTGAGAGCAAGCAGGATACGCTAGAATTGGAGGGTATTAGTGAAGATGGGAGAGTGTCGCTATTTGTTGAGACAGAAATTGTAGTAACCACAGAAAAGTTTATTTTTTCTTATACTCAAGTGAACGGAAGCATTCCTCTTTTTTGGGAATCTGTAGAAAGTCAACTGTTGTATGGAAAAAAAATTAAGGTAACAAAAGATTCTATTGAAGCTCAGGGAGCTTTTGACAGGCATTTTGATAATTTAACCTCAAAGTATGGTGTTGTGAGTATCGTTAATATCATAAAACCTAAAAGCGAATCACAAGAAAAGTTAGCACTGACGTACAAGGATTGTGCTGAATCAAAGGGAATAAAAATAACAAATATAGAATACAGCTCAAGCGTTCTGACAAAGTCTCCCCACAAATTACTTTATTTATTAAAACAGGATATTTACGAGTTTGGAGCGTTTGCCTATGATATCTCTAGGGGCATCTACTTTGCAAAACAAACGGGGGTATTAAGAATAAGCGCATTTGATTCAATTGAAAAACCTAACACAGTTGAAAGGTTAGTGAGCAAGGAGGTACTTGAATTAACCACAAATGAAATTGATGTATTTGAATTGACTTCCCCATTCTTGGACGCACATGATAAGCTATGGTCAGAAAACTATTACTGGCTTGATCGAACGTATACTAAGCACACGAAGAATTCTGGTAAATATACAAAGGTTTATTCGAAGTTATTTGGTTCCCGAGTTAGATTATACGACCCGCTCCATATCTACATCTCTCAGTATTTAAAGCAATTAAGGTCAAAATATACGTTTGAGAAAGACATCTCAATTTTTGCAGGTACATTTAATATAAGTGGTAAAATTCCAAAAGATGATATAAAAGATTGGATATTTCCAAAATCAATGTCCAAGGAGGATGAAATGGCTGATCTTTATGTTATCGGATTAGAAGAAGTGGTAGAACTTACCCCAGGTCATATGCTTGCTACCGATCCATATGTCCGACAATTTTGGGAGAAGAAGATATTAACACTATTAAATGGGCCCGGACGCAAAAAAAAATATATCCGTTTATGGAGTACACAGTTGGGTGGTATTTTACTATTATTATTCATGAATGAAACGGAATATTCCAAGGTAAAGCATATTGAGGGGGATGTTAAAAAAACCGGGTTTGGAGGAATGGCTTCTAATAAAGGAGCTGTCGCGGTTAGTTTTAAATACTCAGCTACAAGATTTTGCGTACTAGTATCTCATTTAGCGGCAGGCTTAGAAAATGTTGAACAAAGGCATAATGATTATAAGACGATTGCGAAAAGCATACGATTTTCTAAAGGATTACGAATAAAGGATCACGATGCAATTATTTGGATGGGCGATTTCAATTACAGAATATTGATGTCAAACGAAGATGTTAGACGAAAAATTGTTTCTAAAGAATATGCCAGCCTATTTGAAAAGGATCAACTTAATCAACAAATGATCGCAGGTGAGTCTTTTCCATATTTCCATGAAATGGCGATTGATTTCCCACCTACCTATAAATTCGACCCAGGAACTAAAAACTACGACACGAGCGAAAAAATGAGAATACCAGCATGGACTGATAGGATTTTAAGTAGGGGAGAAGTACTAGAACAGTTAGAATATAAATGCTGTGAAGATATACTATTTTCCGATCATCGGCCCGTATATGCCATATTTAGGGCTAGAGTGACTGTAGTGGATGAACAAAAAAAGACTACTTTGGGTACGCAAATCTACGAGAAGATTATGGAAAGGCTAGAGGGATTGGATGATGATGAGAAAATTGCAGTTTTGAGTGATGATGCATTTGTTATCGAAAGTTTTGAGGGCAGTGATTCGATAGCTGGCCCTACGCATTCTCCGACACCAATTCCCGAGCCCAAAAGAGGTAGAAAGTTACCACCACCTAGTTCGGATTTAAAAAAATGGTGGATTGGAAGTGGGAAGCAAGTTAAAGTAGTTCTTGACGTAGACCCGGCCGTTTACATGATTAATCCTAAAAGAGATCCCAATCCATTCGTTGAGAACGAAGATGAGCCACTTTTTATAGAAAGGTAA","protein_sequence":"MRLFIGRRSRSIVISSNNYCLSFQRLRSIPGASSQQRQLSKTPSVTIKSYPDTDLSSDSNYLEVKSCIFNGLLGLVCLNGDIYVAVISGVQNVGFPRWKLIDHQVRPSESIYKVLDVDFYSLENDVFDYLLCERSEQNYDKLIHEHPCGPLKKLFSDGTFYYSRDFDISNIVKNHGLSHNLEYTVDNQDLSFIWNANLASEVINWRSKISNEEKQLFANAGFLTFVIRGYCKTALIEDGPNTASITIISRISTESKQDTLELEGISEDGRVSLFVETEIVVTTEKFIFSYTQVNGSIPLFWESVESQLLYGKKIKVTKDSIEAQGAFDRHFDNLTSKYGVVSIVNIIKPKSESQEKLALTYKDCAESKGIKITNIEYSSSVLTKSPHKLLYLLKQDIYEFGAFAYDISRGIYFAKQTGVLRISAFDSIEKPNTVERLVSKEVLELTTNEIDVFELTSPFLDAHDKLWSENYYWLDRTYTKHTKNSGKYTKVYSKLFGSRVRLYDPLHIYISQYLKQLRSKYTFEKDISIFAGTFNISGKIPKDDIKDWIFPKSMSKEDEMADLYVIGLEEVVELTPGHMLATDPYVRQFWEKKILTLLNGPGRKKKYIRLWSTQLGGILLLLFMNETEYSKVKHIEGDVKKTGFGGMASNKGAVAVSFKYSATRFCVLVSHLAAGLENVEQRHNDYKTIAKSIRFSKGLRIKDHDAIIWMGDFNYRILMSNEDVRRKIVSKEYASLFEKDQLNQQMIAGESFPYFHEMAIDFPPTYKFDPGTKNYDTSEKMRIPAWTDRILSRGEVLEQLEYKCCEDILFSDHRPVYAIFRARVTVVDEQKKTTLGTQIYEKIMERLEGLDDDEKIAVLSDDAFVIESFEGSDSIAGPTHSPTPIPEPKRGRKLPPPSSDLKKWWIGSGKQVKVVLDVDPAVYMINPKRDPNPFVENEDEPLFIER"}]}