{"ymdb_id":"YMDB00006","created_at":"2011-05-29T15:47:47.000Z","updated_at":"2016-09-08T18:34:53.000Z","name":"1D-Myo-inositol 1,4,5,6-tetrakisphosphate","cas":"121010-58-0","state":"Solid","melting_point":"","description":"1D-Myo-Inositol 1,4,5,6-tetrakisphosphate (IP4) is an intermediate in inositol pyrophosphates biosynthesis pathway. IP4 is the precursor to IP5 in 1D-myo-inositol hexakisphosphate (IP6) biosynthesis pathway. IP6 is one of the most prevalent forms of phosphorylated inositols in the eukaryotic cell. It is a strong chelator of important minerals such as calcium, magnesium, iron and zinc. The main function of IP6 in yeast is related to regulation of mRNA export from the nucleus. [Biocyc PWY-6369 and PWY-6361]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"-7.268","location":"nucleus","synthesis_reference":null,"chebi_id":"16067","hmdb_id":"HMDB04527","kegg_id":"C11555","pubchem_id":"443266","cs_id":"23097110","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(1S,2R,3S,4R,5R,6S)-3,4-dihydroxy-2,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid","traditional_iupac":"[(1S,2R,3S,4R,5R,6S)-3,4-dihydroxy-2,5,6-tris(phosphonooxy)cyclohexyl]oxyphosphonic acid","logp":"-4.2762737773333335","pka":"0.690027173722024","alogps_solubility":"1.15e+01 g/l","alogps_logp":"-0.45","alogps_logs":"-1.64","acceptor_count":"14","donor_count":"10","rotatable_bond_count":"8","polar_surface_area":"307.49999999999994","refractivity":"79.26659999999998","polarizability":"34.02574650822298","formal_charge":"0","physiological_charge":"-8","pka_strongest_basic":null,"pka_strongest_acidic":"0.23738624947649356","bioavailability":"0","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1D-myo-Inositol 1,4,5,6-tetrakisphosphic acid","1D-myo-Inositol 1,4,5,6-tetrakisphosphoric acid","D-myo-Inositol 1,4,5,6-tetrakisphosphate","D-myo-Inositol 1,4,5,6-tetrakisphosphoric acid","Inositol 1,4,5,6-tetrakisphosphate","Inositol 1,4,5,6-tetrakisphosphoric acid","Ins(1,4,5,6)P3"],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"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."},{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."},{"pubmed_id":18846089,"citation":"Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). \"A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology.\" Nat Biotechnol 26:1155-1160."},{"pubmed_id":11956213,"citation":"Dubois, E., Scherens, B., Vierendeels, F., Ho, M. M., Messenguy, F., Shears, S. B. (2002). \"In Saccharomyces cerevisiae, the inositol polyphosphate kinase activity of Kcs1p is required for resistance to salt stress, cell wall integrity, and vacuolar morphogenesis.\" J Biol Chem 277:23755-23763."}],"proteins":[{"created_at":"2011-05-24T19:50:13.000Z","updated_at":"2011-05-27T14:55:59.000Z","name":"Inositol polyphosphate multikinase","uniprot_id":"P07250","uniprot_name":"IPMK_YEAST","enzyme":true,"transporter":false,"gene_name":"ARG82","num_residues":355,"molecular_weight":"40352.5","theoretical_pi":"4.33","general_function":"Involved in inositol trisphosphate 3-kinase activity","specific_function":"Has kinase activity and phosphorylates inositol-1,4,5- trisphosphate (Ins(1,4,5)P3) and inositol-1,3,4,5- tetrakisphosphate (Ins(1,3,4,5)P4). Has low kinase activity towards InsP6. Originally it was proposed that the ARGRI and ARGRIII proteins are more likely to be involved in the control of ARGRII activity","reactions":[{"id":1661,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1662,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1663,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1664,"direction":"\u003e","locations":"nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2276,"direction":"\u003e","locations":null,"altext":"ATP + 1D-myo-inositol 1,4,5-trisphosphate = ADP + 1D-myo-inositol 1,4,5,6-tetrakisphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2277,"direction":"\u003e","locations":null,"altext":"ATP + 1D-myo-inositol 1,4,5,6-tetrakisphosphate = ADP + 1D-myo-inositol 1,3,4,5,6-pentakisphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":14818,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007006","source":"Smpdb"},{"id":14819,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007031","source":"Smpdb"},{"id":14820,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007032","source":"Smpdb"},{"id":14821,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007033","source":"Smpdb"},{"id":14822,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007034","source":"Smpdb"},{"id":14823,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007035","source":"Smpdb"},{"id":14824,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007036","source":"Smpdb"},{"id":14825,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007037","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"X05328","genbank_protein_id":"3376","gene_card_id":"ARG82","chromosome_location":"chromosome 4","locus":"YDR173C","synonyms":["IPMK","Arginine metabolism regulation protein III"],"enzyme_classes":["2.7.1.151"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" inositol or phosphatidylinositol kinase activity"},{"category":"Function","description":" inositol trisphosphate kinase activity"},{"category":"Function","description":" inositol trisphosphate 3-kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" Not Available"}],"pfams":[{"name":"IPK","identifier":"PF03770"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"}],"gene_sequence":"ATGGATACGGTAAACAATTATAGGGTTTTAGAGCATAAAGCTGCTGGCCACGACGGTACTCTAACAGACGGTGATGGATTGCTCATCTTTAAACCGGCCTTTCCGCAGGAACTGGAATTCTACAAAGCCATACAAGTGAGAGATGTGAGTCGAAGAAAGTCTTCGGCTGATGGAGATGCTCCCTTGTGCTCTTGGATGCCCACGTATCTTGGAGTCTTGAATGAAGGGGCAAAAATCGAGCAAAGTGGCGATGCTGCGCTTCTGAAGATAGATGAGCGGTTAAGTGATTCCACTGATAATCTTGATTCAATACCTGTAAAGTCTGAGAAGTCCAAGCAATACCTCGTTTTAGAAAATCTACTATATGGATTTAGTAAACCTAATATACTTGATATAAAATTAGGCAAAACTTTGTATGATTCGAAGGCATCATTGGAAAAAAGAGAGAGAATGAAAAGAGTCAGTGAGACGACGACTTCAGGATCTTTGGGTTTCAGGATATGTGGCATGAAAATACAGAAAAATCCCTCTGTGCTGAATCAGCTTTCGCTCGAATATTACGAAGAAGAAGCAGACAGTGATTATATCTTTATAAACAAATTGTATGGTCGTTCAAGAACCGATCAAAATGTTTCAGATGCAATTGAACTTTATTTTAACAATCCTCATCTGTCGGATGCGAGAAAGCATCAACTGAAGAAAACATTTTTGAAAAGATTGCAGTTGTTTTATAATACTATGCTAGAAGAAGAAGTTAGAATGATATCAAGTAGTCTTTTGTTTATTTACGAAGGAGACCCGGAGCGATGGGAATTACTAAATGATGTTGACAAACTTATGCGAGATGATTTTATAGACGATGATGACGACGATGATGATAATGATGATGATGATGATGATGATGCCGAGGGAAGCAGCGAAGGACCAAAGGACAAAAAAACAACTGGTTCTTTGAGTTCCATGTCACTAATAGATTTTGCACATTCTGAAATAACGCCGGGGAAGGGTTATGATGAAAACGTGATTGAAGGAGTTGAAACCTTGCTAGATATTTTTATGAAATTCTAG","protein_sequence":"MDTVNNYRVLEHKAAGHDGTLTDGDGLLIFKPAFPQELEFYKAIQVRDVSRRKSSADGDAPLCSWMPTYLGVLNEGAKIEQSGDAALLKIDERLSDSTDNLDSIPVKSEKSKQYLVLENLLYGFSKPNILDIKLGKTLYDSKASLEKRERMKRVSETTTSGSLGFRICGMKIQKNPSVLNQLSLEYYEEEADSDYIFINKLYGRSRTDQNVSDAIELYFNNPHLSDARKHQLKKTFLKRLQLFYNTMLEEEVRMISSSLLFIYEGDPERWELLNDVDKLMRDDFIDDDDDDDDNDDDDDDDAEGSSEGPKDKKTTGSLSSMSLIDFAHSEITPGKGYDENVIEGVETLLDIFMKF"}]}