{"ymdb_id":"YMDB16280","created_at":"2016-09-12T18:32:04.000Z","updated_at":"2016-10-17T22:34:44.000Z","name":"7,8-dihydrofolate monoglutamate","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":"(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-1,2,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]butanoate","traditional_iupac":"(4S)-4-carboxy-4-[(4-{[(2-imino-4-oxido-7,8-dihydro-1H-pteridin-6-yl)methyl]amino}phenyl)formamido]butanoate","logp":"-1.0253987239295532","pka":"4.160271168129295","alogps_solubility":"1.10e-01 g/l","alogps_logp":"0.10","alogps_logs":"-3.64","acceptor_count":"12","donor_count":"6","rotatable_bond_count":"9","polar_surface_area":"214.24999999999997","refractivity":"153.39330000000004","polarizability":"43.53361955412409","formal_charge":"-2","physiological_charge":"-2","pka_strongest_basic":"2.435705381579427","pka_strongest_acidic":"3.397295196577076","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[],"proteins":[{"created_at":"2011-05-26T17:49:27.000Z","updated_at":"2011-07-22T17:54:37.000Z","name":"Dihydrofolate reductase","uniprot_id":"P07807","uniprot_name":"DYR_YEAST","enzyme":true,"transporter":false,"gene_name":"DFR1","num_residues":211,"molecular_weight":"24260.80078","theoretical_pi":"8.05","general_function":"Involved in dihydrofolate reductase activity","specific_function":"Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis","reactions":[{"id":1455,"direction":"\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2485,"direction":"\u003e","locations":null,"altext":"5,6,7,8-tetrahydrofolate + NADP(+) = 7,8-dihydrofolate + NADPH.","export":false,"pw_reaction_id":null,"source":null},{"id":4147,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006448","source":"Smpdb"},{"id":4148,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006675","source":"Smpdb"},{"id":4149,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006676","source":"Smpdb"},{"id":4150,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006677","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"M18578","genbank_protein_id":"171397","gene_card_id":"DFR1","chromosome_location":"chromosome 15","locus":"YOR236W","synonyms":[],"enzyme_classes":["1.5.1.3"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" NADP or NADPH binding"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-NH group of donors"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-NH group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" dihydrofolate reductase activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" glycine metabolic 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 biosynthetic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" glycine biosynthetic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" serine family amino acid metabolic process"}],"pfams":[{"name":"DHFR_1","identifier":"PF00186"}],"pathways":[{"name":"One carbon pool by folate","kegg_map_id":"00670"},{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGGCTGGAGGAAAGATTCCTATTGTAGGAATTGTGGCATGTTTACAGCCGGAGATGGGGATAGGATTTCGTGGAGGTCTACCATGGAGGTTGCCCAGTGAAATGAAGTATTTCAGACAGGTCACTTCATTGACGAAAGATCCAAACAAAAAAAATGCTTTGATAATGGGAAGGAAGACATGGGAATCCATACCGCCCAAGTTTCGCCCACTGCCCAATAGAATGAATGTCATTATATCGAGAAGCTTCAAGGACGATTTTGTCCACGATAAAGAGAGATCAATAGTCCAAAGTAATTCATTGGCAAACGCAATAATGAACCTAGAAAGCAATTTTAAGGAGCATCTGGAAAGAATCTACGTGATTGGGGGTGGCGAAGTTTATAGTCAAATCTTCTCCATTACAGATCATTGGCTCATCACGAAAATAAATCCATTAGATAAAAACGCAACTCCTGCAATGGACACTTTCCTTGATGCGAAGAAATTGGAAGAAGTATTTAGCGAGCAAGATCCGGCCCAGCTGAAAGAATTTCTTCCCCCTAAAGTAGAGTTGCCCGAAACAGACTGTGATCAACGCTACTCGCTGGAAGAAAAAGGTTATTGCTTCGAATTCACTCTATACAATCGTAAATGA","protein_sequence":"MAGGKIPIVGIVACLQPEMGIGFRGGLPWRLPSEMKYFRQVTSLTKDPNKKNALIMGRKTWESIPPKFRPLPNRMNVIISRSFKDDFVHDKERSIVQSNSLANAIMNLESNFKEHLERIYVIGGGEVYSQIFSITDHWLITKINPLDKNATPAMDTFLDAKKLEEVFSEQDPAQLKEFLPPKVELPETDCDQRYSLEEKGYCFEFTLYNRK"},{"created_at":"2011-05-26T17:50:01.000Z","updated_at":"2011-07-22T17:54:37.000Z","name":"Folylpolyglutamate synthase 1","uniprot_id":"Q12676","uniprot_name":"FOLD_YEAST","enzyme":true,"transporter":false,"gene_name":"FOL3","num_residues":427,"molecular_weight":"47850.80078","theoretical_pi":"6.82","general_function":"Involved in tetrahydrofolylpolyglutamate synthase activity","specific_function":"Conversion of folates to polyglutamate derivatives","reactions":[{"id":1456,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2486,"direction":"\u003e","locations":"Cytoplasm;Mitochondrion. Cytoplasm;Mitochondrion","altext":"ATP + tetrahydropteroyl-(gamma-Glu)(n) + L-glutamate = ADP + phosphate + tetrahydropteroyl-(gamma-Glu)(n+1).","export":false,"pw_reaction_id":null,"source":null},{"id":4146,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006447","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"Z49702","genbank_protein_id":"817872","gene_card_id":"FOL3","chromosome_location":"chromosome 13","locus":"YMR113W","synonyms":["Folylpoly-gamma-glutamate synthetase","FPGS","Tetrahydrofolylpolyglutamate synthase","Tetrahydrofolate synthase"],"enzyme_classes":["6.3.2.17"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" ligase activity, forming carbon-nitrogen bonds"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" acid-amino acid ligase activity"},{"category":"Function","description":" tetrahydrofolylpolyglutamate synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" folic acid and derivative biosynthetic process"},{"category":"Process","description":" biosynthetic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" folic acid and derivative metabolic process"}],"pfams":[{"name":"Mur_ligase_M","identifier":"PF08245"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGGCCATTGAATTGGGACTTTCCCGTATTACAAAACTACTAGAGCATTTAGGCAATCCGCAAAACTCACTTAGAGTGCTGCACATTGCAGGGACAAATGGTAAAGGTTCAGTATGTACTTACCTATCTTCTGTGTTGCAACAAAAGTCCTACCAAATTGGAAAATTTACCACTCCACACTTGGTGCATGTTACTGATTCCATTACAATCAACAATAAGCCGATTCCGTTAGAGAGATACCAGAATATTAGATTACAACTAGAAGCTTTAAACAAGTCACACTCTTTAAAATGTACGGAATTCGAGCTATTAACATGTACCGCATTCAAATATTTTTATGATGTGCAGTGCCAATGGTGTGTCATAGAAGTAGGCCTTGGCGGAAGACTTGATGCGACCAATGTTATTCCAGGCGCAAATAAGGCATGTTGTGGTATTACTAAAATCAGTTTGGATCATGAAAGCTTTTTAGGTAACACCTTGTCTGAAATCTCTAAAGAGAAAGCAGGTATAATAACAGAAGGGGTACCCTTCACAGTGATTGATGGAACCAATGAGGCAAGTGTTATAAATGTTGTGAAAGAAAGATGCAAGGCTTTAGGGTCTGAACTATCCGTTACAGATTCTCAACTTAACGGAAATATGATTGACACCAACTCCTGGGGTTGTTTTGACTTGGCAAAATTGCCACTGAATGGAGAATATCAGATATTTAATCTCAGGGTGGCCATGGGTATGTTAGACTACTTACAAATGAACGAACTTATTGATATTACCAAGAATGAAGTAAGTACGAGATTGGCGAAGGTTGATTGGCCAGGAAGGTTATATCGTATGGATTATCGCTTTGACAAAGTAAGTAATAGGACAGTGCCTATATTAATGGACGGTGCCCACAATGGCTCAGCTGCAGTAGAGTTAGTTAAGTACCTAAGAAAGGAGTACGGAAACCAGCCTTTGACCTTTGTGATGGCAGTAACGCATGGGAAAAACTTGGAGCCGCTGCTCCAGCCATTATTGAGGCCTATAGATCAAGTAATTCTTACTCGGTTTAATAATGTGGAAGGTATGCCCTGGATTCATGCCACTGATCCTGAAGAAATAAAAGATTTTATTTTGACTCAAGGATACACAAAGGAGATAGTGATTGAAAATGATTTACATCAGGTATTGCCTTCTCTGGCGCATGTATCAGACGAGCAAAGACGGCCAATTGTTGTATGCGGTTCACTGTATTTATGTGGTGAATTATTACGGATTCACAATAGTCACTTGAGAAACTAA","protein_sequence":"MAIELGLSRITKLLEHLGNPQNSLRVLHIAGTNGKGSVCTYLSSVLQQKSYQIGKFTTPHLVHVTDSITINNKPIPLERYQNIRLQLEALNKSHSLKCTEFELLTCTAFKYFYDVQCQWCVIEVGLGGRLDATNVIPGANKACCGITKISLDHESFLGNTLSEISKEKAGIITEGVPFTVIDGTNEASVINVVKERCKALGSELSVTDSQLNGNMIDTNSWGCFDLAKLPLNGEYQIFNLRVAMGMLDYLQMNELIDITKNEVSTRLAKVDWPGRLYRMDYRFDKVSNRTVPILMDGAHNGSAAVELVKYLRKEYGNQPLTFVMAVTHGKNLEPLLQPLLRPIDQVILTRFNNVEGMPWIHATDPEEIKDFILTQGYTKEIVIENDLHQVLPSLAHVSDEQRRPIVVCGSLYLCGELLRIHNSHLRN"}]}