{"ymdb_id":"YMDB00672","created_at":"2011-05-29T18:42:16.000Z","updated_at":"2016-09-08T18:35:45.000Z","name":"3-phospho-D-glyceroyl dihydrogen phosphate","cas":"38168-82-0","state":null,"melting_point":null,"description":"3-Phospho-D-glyceroyl dihydrogen phosphate is an intermediate in glycolysis. [Biocyc GLYCOLYSIS] ","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"16001","hmdb_id":null,"kegg_id":"C00236","pubchem_id":"439191","cs_id":"388331","foodb_id":null,"wikipedia_link":null,"biocyc_id":"DPG","iupac":"{[(2R)-2-hydroxy-3-(phosphonooxy)propanoyl]oxy}phosphonic acid","traditional_iupac":"1,3-bisphospho-D-glycerate","logp":"-2.2961706616666664","pka":"1.6114650905706243","alogps_solubility":"9.64e+00 g/l","alogps_logp":"-1.14","alogps_logs":"-1.44","acceptor_count":"8","donor_count":"5","rotatable_bond_count":"6","polar_surface_area":"170.81999999999996","refractivity":"42.4161","polarizability":"18.00936559109086","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"-4.186154544612546","pka_strongest_acidic":"1.0092438942915392","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid","1,3-bis-phosphoglycerate","1,3-Bisphospho-D-glycerate","1,3-bisphosphoglycerate","3-phospho-d-glyceroyl phosphate"],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"}],"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":3905788,"citation":"McAlister, L., Holland, M. J. (1985). \"Differential expression of the three yeast glyceraldehyde-3-phosphate dehydrogenase genes.\" J Biol Chem 260:15019-15027."}],"proteins":[{"created_at":"2011-05-27T00:35:21.000Z","updated_at":"2011-05-27T15:01:13.000Z","name":"Phosphoglycerate kinase","uniprot_id":"P00560","uniprot_name":"PGK_YEAST","enzyme":true,"transporter":false,"gene_name":"PGK1","num_residues":416,"molecular_weight":"44738.0","theoretical_pi":"7.8","general_function":"Involved in phosphoglycerate kinase activity","specific_function":"ATP + 3-phospho-D-glycerate = ADP + 3-phospho- D-glyceroyl phosphate","reactions":[{"id":1867,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2623,"direction":"\u003e","locations":"Cytoplasm","altext":"ATP + 3-phospho-D-glycerate = ADP + 3-phospho-D-glyceroyl 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NADH.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"X60157","genbank_protein_id":"3936","gene_card_id":"TDH2","chromosome_location":"chromosome 10","locus":"YJR009C","synonyms":["GAPDH 2"],"enzyme_classes":["1.2.1.12"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" NAD or NADH binding"},{"category":"Function","description":" oxidoreductase activity, acting on the aldehyde or oxo group of donors"},{"category":"Function","description":" oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" glyceraldehyde-3-phosphate dehydrogenase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide 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NADH.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"AY557831","genbank_protein_id":"45269553","gene_card_id":"TDH3","chromosome_location":"chromosome 7","locus":"YGR192C","synonyms":["GAPDH 3"],"enzyme_classes":["1.2.1.12"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" NAD or NADH binding"},{"category":"Function","description":" oxidoreductase activity, acting on the aldehyde or oxo group of donors"},{"category":"Function","description":" oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" glyceraldehyde-3-phosphate dehydrogenase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" monosaccharide metabolic process"},{"category":"Process","description":" hexose metabolic process"},{"category":"Process","description":" glucose metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" small molecule metabolic process"},{"category":"Process","description":" alcohol metabolic process"}],"pfams":[{"name":"Gp_dh_C","identifier":"PF02800"},{"name":"Gp_dh_N","identifier":"PF00044"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Ethanol fermentation","kegg_map_id":null}],"gene_sequence":"ATGGTTAGAGTTGCTATTAACGGTTTCGGTAGAATCGGTAGATTGGTCATGAGAATTGCTTTGTCTAGACCAAACGTCGAAGTTGTTGCTTTGAACGACCCATTCATCACCAACGACTACGCTGCTTACATGTTCAAGTACGACTCCACTCACGGTAGATACGCTGGTGAAGTTTCCCACGATGACAAGCACATCATTGTCGATGGTAAGAAGATTGCTACTTACCAAGAAAGAGACCCAGCTAACTTGCCATGGGGTTCTTCCAACGTTGACATCGCCATTGACTCCACTGGTGTTTTCAAGGAATTAGACACTGCTCAAAAGCACATTGACGCTGGTGCCAAGAAGGTTGTTATCACTGCTCCATCTTCCACCGCCCCAATGTTCGTCATGGGTGTTAACGAAGAAAAATACACTTCTGACTTGAAGATTGTTTCCAACGCTTCTTGTACCACCAACTGTTTGGCTCCATTGGCCAAGGTTATCAACGATGCTTTCGGTATTGAAGAAGGTTTGATGACCACTGTCCACTCTTTGACTGCTACTCAAAAGACTGTTGACGGTCCATCCCACAAGGACTGGAGAGGTGGTAGAACCGCTTCCGGTAACATCATCCCATCCTCCACCGGTGCTGCTAAGGCTGTCGGTAAGGTCTTGCCAGAATTGCAAGGTAAGTTGACCGGTATGGCTTTCAGAGTCCCAACCGTCGATGTCTCCGTTGTTGACTTGACTGTCAAGTTGAACAAGGAAACCACCTACGATGAAATCAAGAAGGTTGTTAAGGCTGCCGCTGAAGGTAAGTTGAAGGGTGTTTTGGGTTACACCGAAGACGCTGTTGTCTCCTCTGACTTCTTGGGTGGCTCTCACTCTTCCATCTTCGATGCTTCCGCTGGTATCCAATTGTCTCCAAAGTTCGTCAAGTTGGTTTCCTGGTACGACAACGAATACGGTTACTCTACCAGAGTTGTCGACTTGGTTGAACACGTTGCCAAGGCTTAA","protein_sequence":"MVRVAINGFGRIGRLVMRIALSRPNVEVVALNDPFITNDYAAYMFKYDSTHGRYAGEVSHDDKHIIVDGKKIATYQERDPANLPWGSSNVDIAIDSTGVFKELDTAQKHIDAGAKKVVITAPSSTAPMFVMGVNEEKYTSDLKIVSNASCTTNCLAPLAKVINDAFGIEEGLMTTVHSLTATQKTVDGPSHKDWRGGRTASGNIIPSSTGAAKAVGKVLPELQGKLTGMAFRVPTVDVSVVDLTVKLNKETTYDEIKKVVKAAAEGKLKGVLGYTEDAVVSSDFLGDSHSSIFDASAGIQLSPKFVKLVSWYDNEYGYSTRVVDLVEHVAKA"},{"created_at":"2011-05-27T06:54:32.000Z","updated_at":"2011-07-22T17:54:38.000Z","name":"Phosphoglycerate 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Can also Catalyze the reaction of EC 5.4.2.4 (synthase) and EC 3.1.3.13 (phosphatase), but with a reduced activity","reactions":[{"id":1467,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1868,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2796,"direction":"\u003e","locations":"Cytoplasm. Nucleus;Cytoplasm","altext":"2-phospho-D-glycerate = 3-phospho-D-glycerate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1BQ4","cellular_location":null,"genbank_gene_id":"X06408","genbank_protein_id":"1326042","gene_card_id":"GPM1","chromosome_location":"chromosome 11","locus":"YKL152C","synonyms":["PGAM 1","BPG-dependent PGAM 1","MPGM 1","Phosphoglyceromutase 1"],"enzyme_classes":["5.4.2.1"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" isomerase activity"},{"category":"Function","description":" intramolecular transferase activity"},{"category":"Function","description":" intramolecular transferase activity, phosphotransferases"},{"category":"Process","description":" metabolic process"},{"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"}],"pfams":[{"name":"PGAM","identifier":"PF00300"}],"pathways":[{"name":"Glycolysis / Gluconeogenesis","kegg_map_id":"00010"},{"name":"Methane metabolism","kegg_map_id":"00680"},{"name":"Ethanol fermentation","kegg_map_id":null}],"gene_sequence":"CCAAAGTTAGTTTTAGTTAGACACGGTCAATCCGAATGGAACGAAAAGAACTTATTCACCGGTTGGGTTGATGTTAAATTGTCTGCCAAGGGTCAACAAGAAGCCGCTAGAGCCGGTGAATTGTTGAAGGAAAAGAAGGTCTACCCAGACGTCTTGTACACTTCCAAGTTGTCCAGAGCTATCCAAACTGCTAACATTGCTTTGGAAAAGGCTGACAGATTATGGATTCCAGTCAACAGATCCTGGAGATTGAACGAAAGACATTACGGTGACTTACAAGGTAAGGACAAGGCTGAAACTTTGAAGAAGTTCGGTGAAGAAAAATTCAACACCTACAGAAGATCCTTCGATGTTCCACCTCCACCAATCGACGCTTCTTCTCCATTCTCTCAAAAGGGTGATGAAAGATACAAGTACGTTGACCCAAATGTCTTGCCAGAAACTGAATCTTTGGCTTTGGTCATTGACAGATTGTTGCCATACTGGCAAGATGTCATTGCCAAGGACTTGTTGAGTGGTAAGACCGTCATGATCGCCGCTCACGGTAACTCCTTGAGAGGTTTGGTTAAGCACTTGGAAGGTATCTCTGATGCTGACATTGCTAAGTTGAACATCCCAACTGGTATTCCATTGGTCTTCGAATTGGACGAAAACTTGAAGCCATCTAAGCCATCTTACTACTTGGACCCAGAAGCTGCCGCTGCTGGTGCCGCTGCTGTTGCCAACCAAGGTAAGAAATAA","protein_sequence":"MPKLVLVRHGQSEWNEKNLFTGWVDVKLSAKGQQEAARAGELLKEKKVYPDVLYTSKLSRAIQTANIALEKADRLWIPVNRSWRLNERHYGDLQGKDKAETLKKFGEEKFNTYRRSFDVPPPPIDASSPFSQKGDERYKYVDPNVLPETESLALVIDRLLPYWQDVIAKDLLSGKTVMIAAHGNSLRGLVKHLEGISDADIAKLNIPTGIPLVFELDENLKPSKPSYYLDPEAAAAGAAAVANQGKK"}]}