{"ymdb_id":"YMDB16180","created_at":"2016-09-12T18:20:27.000Z","updated_at":"2016-10-17T22:34:42.000Z","name":"Phosphatidylinositol-3,4,5-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,2S,3S,4S,5R,6S)-3-({[2,2-bis(acetyloxy)ethoxy](hydroxy)phosphoryl}oxy)-2,4-dihydroxy-5,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid","traditional_iupac":"[(1S,2S,3S,4S,5R,6S)-3-{[2,2-bis(acetyloxy)ethoxy(hydroxy)phosphoryl]oxy}-2,4-dihydroxy-5,6-bis(phosphonooxy)cyclohexyl]oxyphosphonic acid","logp":"-4.070388187666666","pka":"0.8749172009244854","alogps_solubility":"1.44e+01 g/l","alogps_logp":"-0.20","alogps_logs":"-1.65","acceptor_count":"15","donor_count":"9","rotatable_bond_count":"15","polar_surface_area":"349.09999999999997","refractivity":"109.37409999999996","polarizability":"47.5068388936121","formal_charge":"0","physiological_charge":"-7","pka_strongest_basic":"-3.689092103968366","pka_strongest_acidic":"0.3804049912223664","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":"2011-05-27T00:43:23.000Z","updated_at":"2011-05-27T15:01:13.000Z","name":"Phosphatidylinositol 4-kinase PIK1","uniprot_id":"P39104","uniprot_name":"PIK1_YEAST","enzyme":true,"transporter":false,"gene_name":"PIK1","num_residues":1066,"molecular_weight":"119922.0","theoretical_pi":"6.46","general_function":"Involved in binding","specific_function":"Acts on phosphatidylinositol (PI) in the first committed step in the production of the second messenger inositol-1,4,5,- trisphosphate. PIK1 is part of a nuclear phosphoinositide cycle and could control cytokinesis through the actin cytoskeleton","reactions":[{"id":1849,"direction":"\u003c\u003e","locations":"vacuole;Golgi;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1850,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2590,"direction":"\u003e","locations":" Peripheral membrane protein.; Cytoplasmic side.; Peripheral membrane protein;Cell membrane; Cytoplasmic side. Vacuole membrane; Peripheral membrane protein. Vacuole membrane;Nucleus","altext":"ATP + 1-phosphatidyl-1D-myo-inositol = ADP + 1-phosphatidyl-1D-myo-inositol 4-phosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14858,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007046","source":"Smpdb"},{"id":14859,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007047","source":"Smpdb"},{"id":14860,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007048","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Nucleus","genbank_gene_id":"L20220","genbank_protein_id":"432496","gene_card_id":"PIK1","chromosome_location":"chromosome 14","locus":"YNL267W","synonyms":["PI4-kinase","PtdIns-4-kinase"],"enzyme_classes":["2.7.1.67"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" phosphotransferase activity, alcohol group as acceptor"},{"category":"Function","description":" inositol or phosphatidylinositol kinase activity"},{"category":"Process","description":" regulation of biological process"},{"category":"Process","description":" regulation of cellular process"},{"category":"Process","description":" signal transduction"},{"category":"Process","description":" organophosphate metabolic process"},{"category":"Process","description":" phospholipid metabolic process"},{"category":"Process","description":" intracellular signal transduction"},{"category":"Process","description":" second-messenger-mediated signaling"},{"category":"Process","description":" phosphoinositide-mediated signaling"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" glycerophospholipid metabolic process"},{"category":"Process","description":" phosphoinositide metabolic process"},{"category":"Process","description":" phosphoinositide phosphorylation"},{"category":"Process","description":" biological regulation"}],"pfams":[{"name":"PI3_PI4_kinase","identifier":"PF00454"},{"name":"PI3Ka","identifier":"PF00613"},{"name":"Pik1","identifier":"PF11522"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"gene_sequence":"ATGCATAAAGCATCCAGTTCAAAGAAAAGCTTTGATGATACTATTGAACTAAAAAAAAATGAACAATTACTGAAACTGATCAACTCTAGTGAATTCACCCTTCACAATTGTGTGGAGTTACTGTGCAAACACTCCGAAAATATTGGTATACATTACTATTTATGTCAGAAATTGGCCACATTTCCTCACAGCGAACTACAGTTCTATATTCCCCAACTAGTACAGGTCCTCGTCACCATGGAGACAGAATCAATGGCTTTAGAAGATTTACTATTAAGGTTGAGGGCGGAAAACCCTCATTTTGCACTACTGACGTTTTGGCAGTTACAAGCGTTACTAACGGATTTATCTACTGACCCCGCTTCTTATGGCTTCCAAGTGGCTAGAAGAGTCTTAAACAACTTACAAACCAATCTCTTTAACACAAGTTCAGGTAGCGATAAAAATGTTAAAATACATGAAAACGTTGCACCGGCCTTAGTTCTTTCCTCTATGATAATGTCGGCTATAGCATTCCCCCAATTAAGCGAAGTGACCAAACCATTAGTGGAATCTCAAGGTAGAAGACAAAAAGCTTTCGTTTTTAAGTTGGCTAGAAGTGCAATGAAAGATTTTACCAAGAACATGACCTTGAAAAATACCCTACTAAACAAGAAAACTTCCAGATCCAAAAGAGTTAGCTCAAATCGCAGTTCAACTCCGACTTCTCCAATAGATTTAATAGATCCAATAAAAACTAAAGAAGATGCATCCTTCAGGAAATCCAGACATAGTGAGGTAAAATTGGATTTCGACATTGTGGATGATATAGGTAACCAGGTCTTTGAAGAAAGAATCTCATCTTCAATCAAACTCCCAAAACGTAAACCTAAGTATTTGGATAATTCATACGTTCATAGGACATATGATGGCAAAAATATAAACAGGGACGGAAGCATTTCAAATACCGCAAAGGCTCTCGATGGAAATAAAGGTGATTATATTTCTCCAAAGGGACGTAATGATGAAAATAATGAGATTGGTAACAATGAAGATGAAACTGGTGGTGAAACGGAGGAGGACGCGGACGCTTTAAACTCTGATCACTTCACCAGTTCTATGCCAGATCTGCATAATATTCAACCAAGGACTTCTTCTGCTTCATCTGCTTCTTTAGAAGGGACACCTAAGTTAAACAGGACCAATTCCCAACCCCTTTCGCGCCAGGCATTCAAAAACAGTAAAAAAGCGAATTCTTCTTTGAGTCAAGAAATTGACTTGTCGCAATTATCGACCACTTCAAAAATAAAAATGTTAAAAGCAAATTATTTTCGTTGCGAGACACAATTTGCCATTGCGCTAGAAACAATATCTCAAAGGCTAGCTCGAGTACCGACAGAAGCTAGATTGAGTGCCTTACGAGCCGAGTTGTTTCTATTAAACAGGGACCTACCAGCGGAAGTAGATATCCCCACTTTATTGCCTCCAAATAAAAAAGGAAAGTTACATAAATTAGTGACCATTACTGCTAATGAGGCACAAGTTTTGAACTCTGCAGAAAAAGTTCCATATTTACTCCTGATAGAATACTTGAGAGACGAATTTGATTTTGACCCAACAAGTGAAACCAATGAAAGATTATTAAAGAAGATCAGTGGTAATCAGGGAGGCTTGATATTTGATTTAAATTACATGAATAGAAAAGAAAACAACGAAAATAGAAATGAAAGTACTCTTACTAGCAACAACACTCGATCTTCGGTATATGATAGTAACTCGTTCAACAACGGGGCCTCCCGCAATGAAGGTCTATCCAGTACCTCAAGAAGTGATTCAGCGTCCACAGCTCATGTTAGGACTGAAGTCAATAAAGAGGAAGATTTAGGTGATATGTCAATGGTAAAAGTCAGGAACAGAACGGATGACGAAGCGTATAGAAATGCTTTAGTAATACAGAGTGCCGCAAATGTTCCAATTTTACCTGATGATAGTCAAGACAGAAGCCCAGAGTTGAACTTTGGCTCAAACTTGGACGAAGTACTCATCGAGAATGGAATTAATAGCAAAAATATACATAGCCAAACTGACGCTTTAGCAGACCAGATGAGAGTTTCAGCTGTTATGTTAGCACAATTGGATAAGTCGCCACAACAGTTATCAGAAAGTACCAAACAAATCCGCGCTCAAATTATTTCATCAATGAAGGAGGTGCAGGATAAATTTGGTTACCATGATTTGGAAGCCCTTCATGGAATGGCAGGTGAGAGAAAATTGGAAAACGATTTAATGACGGGTGGTATTGACACTTCATATCTAGGTGAAGATTGGGCTACCAAGAAAGAGAGGATACGTAAAACTTCGGAATATGGCCATTTCGAAAACTGGGATTTATGTTCTGTAATCGCCAAGACGGGTGATGATTTGAGACAGGAGGCGTTTGCATACCAGATGATTCAAGCGATGGCCAATATTTGGGTTAAAGAAAAAGTTGACGTTTGGGTTAAAAGAATGAAAATTTTAATTACTAGTGCGAATACGGGACTTGTGGAGACCATCACAAATGCTATGTCTGTGCATAGTATTAAAAAGGCTTTAACCAAAAAAATGATTGAAGATGCAGAACTAGATGACAAGGGTGGTATTGCCTCTTTGAATGATCACTTCCTTAGAGCTTTTGGTAATCCTAATGGATTTAAGTATAGAAGAGCACAAGACAACTTTGCTTCTTCGTTAGCCGCATATTCTGTCATTTGCTATCTCTTGCAGGTTAAAGATAGACACAACGGTAACATTATGATCGATAACGAAGGCCATGTAAGTCACATCGATTTTGGATTTATGCTATCAAATTCACCCGGCTCAGTGGGCTTTGAGGCCGCACCATTCAAATTAACTTACGAATATATTGAACTGCTAGGCGGAGTAGAGGGAGAAGCGTTTAAAAAGTTTGTTGAACTAACTAAAAGTTCGTTCAAGGCTCTGAGAAAGTATGCTGATCAAATCGTATCAATGTGTGAGATTATGCAAAAGGACAATATGCAGCCTTGTTTCGATGCTGGCGAACAAACAAGTGTACAACTACGACAAAGGTTCCAATTGGACTTATCAGAAAAAGAAGTTGATGACTTCGTAGAAAATTTCTTGATAGGTAAATCTTTGGGTAGTATTTACACCAGAATATACGACCAATTTCAACTTATTACACAGGGTATATATAGCTGA","protein_sequence":"MHKASSSKKSFDDTIELKKNEQLLKLINSSEFTLHNCVELLCKHSENIGIHYYLCQKLATFPHSELQFYIPQLVQVLVTMETESMALEDLLLRLRAENPHFALLTFWQLQALLTDLSTDPASYGFQVARRVLNNLQTNLFNTSSGSDKNVKIHENVAPALVLSSMIMSAIAFPQLSEVTKPLVESQGRRQKAFVFKLARSAMKDFTKNMTLKNTLLNKKTSRSKRVSSNRSSTPTSPIDLIDPIKTKEDASFRKSRHSEVKLDFDIVDDIGNQVFEERISSSIKLPKRKPKYLDNSYVHRTYDGKNINRDGSISNTAKALDGNKGDYISPKGRNDENNEIGNNEDETGGETEEDADALNSDHFTSSMPDLHNIQPRTSSASSASLEGTPKLNRTNSQPLSRQAFKNSKKANSSLSQEIDLSQLSTTSKIKMLKANYFRCETQFAIALETISQRLARVPTEARLSALRAELFLLNRDLPAEVDIPTLLPPNKKGKLHKLVTITANEAQVLNSAEKVPYLLLIEYLRDEFDFDPTSETNERLLKKISGNQGGLIFDLNYMNRKENNENRNESTLTSNNTRSSVYDSNSFNNGASRNEGLSSTSRSDSASTAHVRTEVNKEEDLGDMSMVKVRNRTDDEAYRNALVIQSAANVPILPDDSQDRSPELNFGSNLDEVLIENGINSKNIHSQTDALADQMRVSAVMLAQLDKSPQQLSESTKQIRAQIISSMKEVQDKFGYHDLEALHGMAGERKLENDLMTGGIDTSYLGEDWATKKERIRKTSEYGHFENWDLCSVIAKTGDDLRQEAFAYQMIQAMANIWVKEKVDVWVKRMKILITSANTGLVETITNAMSVHSIKKALTKKMIEDAELDDKGGIASLNDHFLRAFGNPNGFKYRRAQDNFASSLAAYSVICYLLQVKDRHNGNIMIDNEGHVSHIDFGFMLSNSPGSVGFEAAPFKLTYEYIELLGGVEGEAFKKFVELTKSSFKALRKYADQIVSMCEIMQKDNMQPCFDAGEQTSVQLRQRFQLDLSEKEVDDFVENFLIGKSLGSIYTRIYDQFQLITQGIYS"}]}