{"ymdb_id":"YMDB00764","created_at":"2011-05-29T18:51:04.000Z","updated_at":"2016-09-08T18:35:52.000Z","name":"1D-myo-inositol 4,5-bisphosphate","cas":null,"state":null,"melting_point":null,"description":"1D-Myo-inositol 4,5-bisphosphate is an intermediate in the 3-phosphoinositide biosynthesis pathway and a precursor to second messengers. [Biocyc PWY-6352]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cell envelope;cytoplasm","synthesis_reference":null,"chebi_id":"18156","hmdb_id":null,"kegg_id":"C04637","pubchem_id":null,"cs_id":"24808071","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(1R,2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid","traditional_iupac":"[(1R,2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid","logp":"-4.029141714666666","pka":"1.2901930470509493","alogps_solubility":"2.37e+01 g/l","alogps_logp":"-1.31","alogps_logs":"-1.16","acceptor_count":"10","donor_count":"8","rotatable_bond_count":"4","polar_surface_area":"214.43999999999997","refractivity":"57.5208","polarizability":"25.042447929874676","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"-3.646813811123052","pka_strongest_acidic":"0.6564929747342663","bioavailability":"0","number_of_rings":"1","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-Phosphatidyl-1D-myo-inositol 4,5-bisphosphate","1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate","1D-Myo-inositol 1,4-bisphosphate","1D-Myo-inositol 1,4-bisphosphic acid","D-myo-inositol 1,4-bisphosphate","D-myo-Inositol 4,5-bisphosphate","D-MYO-INOSITOL-4,5-BISPHOSPHATE","inositol 1,4-bisphosphate","myo-inositol 1,4-bisphosphate","Phosphatidyl-myo-inositol 4,5-bisphosphate","Phosphatidylinositol-4,5-bisphosphate"],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"},{"name":"Inositol Metabolism","kegg_map_id":null}],"growth_conditions":[],"references":[{"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":16123124,"citation":"Resnick, A. C., Snowman, A. M., Kang, B. N., Hurt, K. J., Snyder, S. H., Saiardi, A. (2005). \"Inositol polyphosphate multikinase is a nuclear PI3-kinase with transcriptional regulatory activity.\" Proc Natl Acad Sci U S A 102:12783-12788."}],"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":" catalytic activity"},{"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":"Process","description":" Not Available"}],"pfams":[{"name":"IPK","identifier":"PF03770"}],"pathways":[{"name":"Inositol phosphate metabolism","kegg_map_id":"00562"}],"gene_sequence":"ATGGATACGGTAAACAATTATAGGGTTTTAGAGCATAAAGCTGCTGGCCACGACGGTACTCTAACAGACGGTGATGGATTGCTCATCTTTAAACCGGCCTTTCCGCAGGAACTGGAATTCTACAAAGCCATACAAGTGAGAGATGTGAGTCGAAGAAAGTCTTCGGCTGATGGAGATGCTCCCTTGTGCTCTTGGATGCCCACGTATCTTGGAGTCTTGAATGAAGGGGCAAAAATCGAGCAAAGTGGCGATGCTGCGCTTCTGAAGATAGATGAGCGGTTAAGTGATTCCACTGATAATCTTGATTCAATACCTGTAAAGTCTGAGAAGTCCAAGCAATACCTCGTTTTAGAAAATCTACTATATGGATTTAGTAAACCTAATATACTTGATATAAAATTAGGCAAAACTTTGTATGATTCGAAGGCATCATTGGAAAAAAGAGAGAGAATGAAAAGAGTCAGTGAGACGACGACTTCAGGATCTTTGGGTTTCAGGATATGTGGCATGAAAATACAGAAAAATCCCTCTGTGCTGAATCAGCTTTCGCTCGAATATTACGAAGAAGAAGCAGACAGTGATTATATCTTTATAAACAAATTGTATGGTCGTTCAAGAACCGATCAAAATGTTTCAGATGCAATTGAACTTTATTTTAACAATCCTCATCTGTCGGATGCGAGAAAGCATCAACTGAAGAAAACATTTTTGAAAAGATTGCAGTTGTTTTATAATACTATGCTAGAAGAAGAAGTTAGAATGATATCAAGTAGTCTTTTGTTTATTTACGAAGGAGACCCGGAGCGATGGGAATTACTAAATGATGTTGACAAACTTATGCGAGATGATTTTATAGACGATGATGACGACGATGATGATAATGATGATGATGATGATGATGATGCCGAGGGAAGCAGCGAAGGACCAAAGGACAAAAAAACAACTGGTTCTTTGAGTTCCATGTCACTAATAGATTTTGCACATTCTGAAATAACGCCGGGGAAGGGTTATGATGAAAACGTGATTGAAGGAGTTGAAACCTTGCTAGATATTTTTATGAAATTCTAG","protein_sequence":"MDTVNNYRVLEHKAAGHDGTLTDGDGLLIFKPAFPQELEFYKAIQVRDVSRRKSSADGDAPLCSWMPTYLGVLNEGAKIEQSGDAALLKIDERLSDSTDNLDSIPVKSEKSKQYLVLENLLYGFSKPNILDIKLGKTLYDSKASLEKRERMKRVSETTTSGSLGFRICGMKIQKNPSVLNQLSLEYYEEEADSDYIFINKLYGRSRTDQNVSDAIELYFNNPHLSDARKHQLKKTFLKRLQLFYNTMLEEEVRMISSSLLFIYEGDPERWELLNDVDKLMRDDFIDDDDDDDDNDDDDDDDAEGSSEGPKDKKTTGSLSSMSLIDFAHSEITPGKGYDENVIEGVETLLDIFMKF"}]}