{"ymdb_id":"YMDB16279","created_at":"2016-09-12T18:32:03.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"5,10-methenyltetrahydrofolate mono-L-glutamate","cas":null,"state":null,"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":"(6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-1H,2H,5H,6H,6aH,7H,8H-10lambda5-imidazo[1,5-f]pteridin-10-ylium","traditional_iupac":"(6aR)-3-amino-8-(4-{[(1S)-1,3-dicarboxypropyl]carbamoyl}phenyl)-1-oxo-2H,5H,6H,6aH,7H-10lambda5-imidazo[1,5-f]pteridin-10-ylium","logp":"-4.574936226805079","pka":"4.051046617069585","alogps_solubility":"2.42e-01 g/l","alogps_logp":"-1.05","alogps_logs":"-3.34","acceptor_count":"10","donor_count":"4","rotatable_bond_count":"7","polar_surface_area":"195.12","refractivity":"156.04630000000006","polarizability":"44.9807555247459","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":"-0.924641181332258","pka_strongest_acidic":"3.2144329953181727","bioavailability":"1","number_of_rings":"4","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"Pyrimidine metabolism","kegg_map_id":"00240"}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-26T17:50:40.000Z","updated_at":"2011-05-26T17:50:40.000Z","name":"Thymidylate synthase","uniprot_id":"P06785","uniprot_name":"TYSY_YEAST","enzyme":true,"transporter":false,"gene_name":"TMP1","num_residues":304,"molecular_weight":"35046.89844","theoretical_pi":"7.16","general_function":"Involved in thymidylate synthase activity","specific_function":"Required for both nuclear and mitochondrial DNA synthesis","reactions":[{"id":2013,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2487,"direction":"\u003e","locations":null,"altext":"5,10-methylenetetrahydrofolate + dUMP = dihydrofolate + dTMP.","export":false,"pw_reaction_id":null,"source":null},{"id":14234,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006678","source":"Smpdb"},{"id":14235,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006752","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"J02706","genbank_protein_id":"172990","gene_card_id":"TMP1","chromosome_location":null,"locus":"YOR074C","synonyms":["TS","TSase"],"enzyme_classes":["2.1.1.45"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring one-carbon groups"},{"category":"Function","description":" methyltransferase activity"},{"category":"Function","description":" 5,10-methylenetetrahydrofolate-dependent methyltransferase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" thymidylate synthase activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" pyrimidine nucleotide metabolic process"},{"category":"Process","description":" pyrimidine nucleotide biosynthetic process"},{"category":"Process","description":" pyrimidine nucleoside monophosphate biosynthetic process"},{"category":"Process","description":" pyrimidine deoxyribonucleoside monophosphate biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" dTMP biosynthetic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"}],"pfams":[{"name":"Thymidylat_synt","identifier":"PF00303"}],"pathways":[{"name":"Pyrimidine metabolism","kegg_map_id":"00240"},{"name":"One carbon pool by folate","kegg_map_id":"00670"},{"name":"One Carbon Pool by Folate I","kegg_map_id":null}],"gene_sequence":"ATGACTATGGACGGAAAAAACAAAGAAGAAGAGCAATATCTTGATCTATGCAAAAGAATCATTGATGAAGGTGAATTTAGGCCAGATAGAACAGGCACTGGTACGTTGAGTCTTTTTGCACCACCCCAGCTGCGTTTTAGTTTACGTGATGATACCTTCCCACTACTAACGACCAAGAAGGTTTTTACTAGAGGTATCATACTTGAACTATTGTGGTTTTTGGCCGGTGATACAGACGCTAACCTATTGTCTGAGCAAGGTGTTAAGATTTGGGACGGTAATGGATCTCGTGAATATTTAGATAAGATGGGGTTCAAAGATAGGAAAGTAGGAGATCTGGGGCCCGTTTACGGATTTCAATGGAGGCATTTTGGTGCTAAATACAAGACGTGCGATGACGACTATACTGGACAAGGTATTGATCAATTGAAACAGGTTATACATAAACTAAAGACAAATCCCTACGATAGAAGAATCATTATGAGTGCCTGGAACCCAGCTGATTTTGACAAAATGGCTTTGCCGCCATGCCATATTTTTTCACAGTTCTATGTCAGTTTCCCCAAAGAAGGAGAAGGATCCGGTAAGCCCCGCCTTTCATGCTTATTGTACCAACGTTCTTGTGATATGGGGTTGGGAGTACCATTTAACATTGCATCATATGCTTTGTTGACTAGAATGATTGCTAAAGTTGTCGACATGGAGCCAGGTGAGTTCATTCATACTTTGGGGGATGCACATGTTTATAAAGACCACATTGATGCCTTGAAAGAACAAATCACCAGAAATCCAAGACCATTCCCGAAACTAAAGATTAAAAGGGACGTTAAAGACATTGATGATTTCAAGTTGACAGACTTTGAAATTGAAGATTATAATCCTCATCCAAGAATTCAAATGAAAATGAGTGTATAA","protein_sequence":"MTMDGKNKEEEQYLDLCKRIIDEGEFRPDRTGTGTLSLFAPPQLRFSLRDDTFPLLTTKKVFTRGIILELLWFLAGDTDANLLSEQGVKIWDGNGSREYLDKMGFKDRKVGDLGPVYGFQWRHFGAKYKTCDDDYTGQGIDQLKQVIHKLKTNPYDRRIIMSAWNPADFDKMALPPCHIFSQFYVSFPKEGEGSGKPRLSCLLYQRSCDMGLGVPFNIASYALLTRMIAKVVDMEPGEFIHTLGDAHVYKDHIDALKEQITRNPRPFPKLKIKRDVKDIDDFKLTDFEIEDYNPHPRIQMKMSV"}]}