{"ymdb_id":"YMDB00753","created_at":"2011-05-29T18:50:01.000Z","updated_at":"2016-09-08T18:35:51.000Z","name":"sedoheptulose 1,7-bisphosphate","cas":"815-91-8","state":null,"melting_point":null,"description":"Sedoheptulose 1,7-bisphosphate is produced during the sedoheptulose bisphosphate bypass pathway, from the phosphorylation of sedoheptulose 7-phosphate accumulated from the pentose phosphate pathway. This reaction is catalyzed by the enzyme 6-phosphofructokinase I. [Biocyc PWY0-1517]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"17969","hmdb_id":null,"kegg_id":"C00447","pubchem_id":"164735","cs_id":"144412","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-oxo-7-(phosphonooxy)heptyl]oxy}phosphonic acid","traditional_iupac":"sedoheptulose 1,7-bisphosphate","logp":"-4.144498896666667","pka":"1.6639331088172806","alogps_solubility":"1.43e+01 g/l","alogps_logp":"-1.52","alogps_logs":"-1.41","acceptor_count":"11","donor_count":"8","rotatable_bond_count":"10","polar_surface_area":"231.50999999999996","refractivity":"65.2701","polarizability":"28.034589633912134","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"-3.539513696987668","pka_strongest_acidic":"1.0065590425670043","bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["altro-Heptulose 1,7-biphosphate","D-altro-Heptulose 1,7-biphosphate","D-Sedoheptulose 1,7-bisphosphate","Sedoheptulose 1,7-bisphosphate"],"pathways":[{"name":"Riboneogenesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"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":20427268,"citation":"Kuznetsova, E., Xu, L., Singer, A., Brown, G., Dong, A., Flick, R., Cui, H., Cuff, M., Joachimiak, A., Savchenko, A., Yakunin, A. F. (2010). \"Structure and activity of the metal-independent fructose-1,6-bisphosphatase YK23 from Saccharomyces cerevisiae.\" J Biol Chem 285:21049-21059."},{"pubmed_id":21663798,"citation":"Clasquin, M. F., Melamud, E., Singer, A., Gooding, J. R., Xu, X., Dong, A., Cui, H., Campagna, S. R., Savchenko, A., Yakunin, A. F., Rabinowitz, J. D., Caudy, A. A. (2011). \"Riboneogenesis in yeast.\" Cell 145:969-980."}],"proteins":[{"created_at":"2011-05-26T19:32:26.000Z","updated_at":"2011-07-22T17:54:34.000Z","name":"Fructose-bisphosphate aldolase","uniprot_id":"P14540","uniprot_name":"ALF_YEAST","enzyme":true,"transporter":false,"gene_name":"FBA1","num_residues":359,"molecular_weight":"39620.5","theoretical_pi":"5.59","general_function":"Involved in catalytic activity","specific_function":"Catalyzes the aldol condensation of dihydroxyacetone phosphate (DHAP or glycerone-phosphate) with glyceraldehyde 3- phosphate (G3P) to form fructose 1,6-bisphosphate (FBP) in gluconeogenesis and the reverse reaction in glycolysis","reactions":[{"id":1434,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1552,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1961,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2577,"direction":"\u003e","locations":null,"altext":"D-fructose 1,6-bisphosphate = glycerone phosphate + D-glyceraldehyde 3-phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"X15003","genbank_protein_id":"3696","gene_card_id":"FBA1","chromosome_location":"chromosome 11","locus":"YKL060C","synonyms":["FBP aldolase","FBPA","Fructose-1,6-bisphosphate aldolase"],"enzyme_classes":["4.1.2.13"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" zinc ion binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" aldehyde-lyase activity"},{"category":"Function","description":" fructose-bisphosphate aldolase activity"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Process","description":" small molecule metabolic process"},{"category":"Process","description":" alcohol metabolic process"},{"category":"Process","description":" monosaccharide metabolic process"},{"category":"Process","description":" hexose metabolic process"},{"category":"Process","description":" glucose metabolic process"},{"category":"Process","description":" glucose catabolic process"},{"category":"Process","description":" glycolysis"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"F_bP_aldolase","identifier":"PF01116"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Pentose phosphate pathway","kegg_map_id":"00030"},{"name":"Fructose and mannose metabolism","kegg_map_id":"00051"},{"name":"Methane metabolism","kegg_map_id":"00680"}],"gene_sequence":"ATGGGTGTTGAACAAATCTTAAAGAGAAAGACCGGTGTCATCGTTGGTGAAGATGTCCACAACTTATTCACTTACGCTAAGGAACACAAGTTCGCTATTCCAGCTATTAACGTCACCTCTTCTTCTACTGCCGTCGCTGCTTTAGAAGCTGCTAGAGACAGCAAGTCCCCAATCATTTTGCAAACCTCTAACGGTGGTGCTGCTTACTTCGCTGGTAAGGGTATCTCTAACGAAGGTCAAAATGCTTCCATCAAGGGTGCTATTGCCGCTGCCCACTACATCAGATCCATTGCTCCAGCTTACGGTATCCCAGTTGTCTTACACTCTGACCACTGTGCCAAGAAGTTGTTGCCATGGTTCGATGGTATGTTGGAAGCTGATGAAGCTTACTTCAAGGAACACGGTGAACCATTATTCTCCTCCCACATGTTGGATTTGTCTGAAGAAACCGATGAAGAAAACATCTCTACTTGTGTCAAGTACTTCAAGAGAATGGCCGCTATGGACCAATGGTTAGAAATGGAAATCGGTATTACCGGTGGTGAAGAAGATGGTGTTAACAACGAAAACGCTGACAAGGAAGACTTGTACACCAAGCCAGAACAAGTTTACAACGTCTACAAGGCTTTGCACCCAATCTCTCCAAACTTCTCCATTGCTGCTGCTTTCGGTAACTGTCACGGTTTGTACGCTGGTGACATCGCTTTGAGACCAGAAATCTTGGCTGAACACCAAAAGTACACCAGAGAACAAGTTGGTTGCAAGGAAGAAAAGCCATTGTTCTTGGTCTTCCACGGTGGTTCCGGTTCTACTGTCCAAGAATTCCACACTGGTATTGACAACGGTGTTGTCAAGGTCAACTTGGACACTGACTGTCAATACGCTTACTTGACTGGTATCAGAGACTACGTCTTGAACAAGAAGGACTACATAATGTCCCCAGTCGGTAACCCAGAAGGTCCAGAAAAGCCAAACAAGAAGTTCTTCGACCCAAGAGTCTGGGTTAGAGAAGGTGAAAAGACCATGGGTGCTAAGATCACCAAGTCTTTGGAAACTTTCCGTACCACTAACACTTTATAA","protein_sequence":"MGVEQILKRKTGVIVGEDVHNLFTYAKEHKFAIPAINVTSSSTAVAALEAARDSKSPIILQTSNGGAAYFAGKGISNEGQNASIKGAIAAAHYIRSIAPAYGIPVVLHSDHCAKKLLPWFDGMLEADEAYFKEHGEPLFSSHMLDLSEETDEENISTCVKYFKRMAAMDQWLEMEIGITGGEEDGVNNENADKEDLYTKPEQVYNVYKALHPISPNFSIAAAFGNCHGLYAGDIALRPEILAEHQKYTREQVGCKEEKPLFLVFHGGSGSTVQEFHTGIDNGVVKVNLDTDCQYAYLTGIRDYVLNKKDYIMSPVGNPEGPEKPNKKFFDPRVWVREGEKTMGAKITKSLETFRTTNTL"},{"created_at":"2016-09-09T22:45:07.000Z","updated_at":"2016-09-09T22:45:07.000Z","name":"Sedoheptulose 1,7-bisphosphatase","uniprot_id":"P36136","uniprot_name":"SHB17","enzyme":true,"transporter":false,"gene_name":"SHB17","num_residues":271,"molecular_weight":"31021.71","theoretical_pi":null,"general_function":"ribosome biogenesis","specific_function":"Sedoheptulose 1,7-bisphosphatase involved in riboneogenesis. Dephosphorylates sedoheptulose 1,7-bisphosphate (SBP), which is converted via the non-oxidative pentose phosphate pathway to ribose-5-phosphate. Has a fructose 1,6-bisphosphatase activity in vitro, but this is probably not biologically relevant, since deletion does not affect fructose 1,6-biphosphate (FBP) levels.","reactions":[{"id":14891,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007091","source":"Smpdb"}],"signal_regions":null,"transmembrane_regions":null,"pdb_id":"3F3K","cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":null,"chromosome_location":null,"locus":null,"synonyms":[],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"oxidoreductase activity"},{"category":"Function","description":"cytosol"},{"category":"Function","description":"nucleus"},{"category":"Function","description":"ribosome biogenesis"},{"category":"Function","description":"sedoheptulose-bisphosphatase activity"},{"category":"Function","description":"carbohydrate metabolic process"},{"category":"Function","description":"ribose phosphate biosynthetic process"}],"pfams":[],"pathways":[{"name":"Riboneogenesis","kegg_map_id":null}],"gene_sequence":"ATGCCTTCGCTAACCCCCAGATGTATCATTGTCAGACACGGTCAAACTGAATGGTCCAAGTCAGGCCAGTATACTGGTTTGACAGATCTACCGTTAACGCCCTACGGTGAGGGCCAAATGTTGAGGACCGGTGAGAGTGTTTTCCGCAATAATCAGTTTTTGAATCCAGACAACATCACTTATATCTTCACCTCTCCACGTTTGCGTGCCAGGCAAACTGTGGATTTGGTTTTGAAACCATTAAGCGACGAGCAAAGAGCTAAGATCCGTGTGGTGGTAGACGACGACTTGCGAGAGTGGGAGTACGGTGACTACGAGGGAATGCTGACTCGAGAAATCATTGAATTGAGAAAGTCACGCGGTTTGGACAAGGAGAGGCCATGGAATATCTGGAGAGATGGGTGTGAGAACGGTGAGACTACTCAGCAAATTGGGTTGAGACTTTCCCGCGCTATTGCCAGAATCCAGAACTTGCACCGCAAGCACCAGAGTGAGGGCAGAGCATCAGACATCATGGTCTTTGCGCACGGACATGCATTGCGTTATTTTGCTGCTATTTGGTTTGGACTGGGTGTGCAAAAGAAGTGTGAGACGATTGAAGAAATTCAAAATGTCAAATCTTATGATGACGACACAGTTCCATATGTGAAATTGGAATCTTACAGACATTTGGTAGACAATCCATGTTTCTTACTGGACGCCGGTGGGATTGGTGTTTTGTCATACGCTCACCACAACATTGACGAACCTGCATTGGAATTAGCAGGTCCATTTGTCTCACCACCAGAGGAGGAATCCCAGCATGGCGATGTGTAA","protein_sequence":"MPSLTPRCIIVRHGQTEWSKSGQYTGLTDLPLTPYGEGQMLRTGESVFRNNQFLNPDNITYIFTSPRLRARQTVDLVLKPLSDEQRAKIRVVVDDDLREWEYGDYEGMLTREIIELRKSRGLDKERPWNIWRDGCENGETTQQIGLRLSRAIARIQNLHRKHQSEGRASDIMVFAHGHALRYFAAIWFGLGVQKKCETIEEIQNVKSYDDDTVPYVKLESYRHLVDNPCFLLDAGGIGVLSYAHHNIDEPALELAGPFVSPPEEESQHGDV"}]}