{"ymdb_id":"YMDB00149","created_at":"2011-05-29T16:01:41.000Z","updated_at":"2016-09-08T18:35:06.000Z","name":"2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol","cas":"3672-03-5","state":null,"melting_point":null,"description":"Dihydropterin-CH2OH (6-hydroxymethyl-7,8-dihydropterin) is the precursor to dihydropterin-CH2OH-PP (6-hydroxymethyl-7,8-dihydropterin diphosphate) in the 6-hydroxymethyl-dihydropterin diphosphate biosynthesis pathway. 6-Hydroxymethyl-dihydropterin diphosphate is the pterin precursor for the biosynthesis of several important cofactors, including tetrahydrofolate, methanopterin and sarcinapterin. [Biocyc PWY-6147]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"mitochondrion","synthesis_reference":null,"chebi_id":"17083","hmdb_id":null,"kegg_id":"C01300","pubchem_id":"218","cs_id":"213","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-amino-6-(hydroxymethyl)-3,4,7,8-tetrahydropteridin-4-one","traditional_iupac":"2-amino-6-(hydroxymethyl)-7,8-dihydro-3H-pteridin-4-one","logp":"-1.8859297996666662","pka":"13.259137167948449","alogps_solubility":"2.47e+00 g/l","alogps_logp":"-1.69","alogps_logs":"-1.90","acceptor_count":"6","donor_count":"4","rotatable_bond_count":"1","polar_surface_area":"112.1","refractivity":"57.856899999999996","polarizability":"18.400015811514606","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"0.7635096882825214","pka_strongest_acidic":"7.624953086632588","bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine"],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[{"pubmed_id":21051339,"citation":"UniProt Consortium (2011). \"Ongoing and future developments at the Universal Protein Resource.\" Nucleic Acids Res 39:D214-D219."},{"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":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":17134675,"citation":"Fernley, R. T., Iliades, P., Macreadie, I. (2007). \"A rapid assay for dihydropteroate synthase activity suitable for identification of inhibitors.\" Anal Biochem 360:227-234."}],"proteins":[{"created_at":"2011-05-29T04:30:10.000Z","updated_at":"2011-07-22T17:54:37.000Z","name":"Folic acid synthesis protein FOL1","uniprot_id":"P53848","uniprot_name":"FOL1_YEAST","enzyme":true,"transporter":false,"gene_name":"FOL1","num_residues":824,"molecular_weight":"93119.10156","theoretical_pi":"6.4","general_function":"Involved in dihydropteroate synthase activity","specific_function":"Catalyzes three sequential steps of tetrahydrofolate biosynthesis","reactions":[{"id":1140,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1457,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1461,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1462,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2843,"direction":"\u003e","locations":"Mitochondrion membrane","altext":"2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine = 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine + glycolaldehyde.","export":false,"pw_reaction_id":null,"source":null},{"id":2844,"direction":"\u003e","locations":"Mitochondrion membrane","altext":"ATP + 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine = AMP + (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2845,"direction":"\u003e","locations":"Mitochondrion membrane","altext":"(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate + 4-aminobenzoate = diphosphate + dihydropteroate.","export":false,"pw_reaction_id":null,"source":null},{"id":4141,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006442","source":"Smpdb"},{"id":4142,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006443","source":"Smpdb"},{"id":4143,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006444","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion membrane","genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"FOL1","chromosome_location":"chromosome 14","locus":"YNL256W","synonyms":["Dihydroneopterin aldolase","DHNA","FASA","FASB","2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase","6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase","PPPK","7,8-dihydro-6-hydroxymethylpterin-pyrophosphokinase","HPPK","FASC","Dihydropteroate synthase","DHPS","Dihydropteroate pyrophosphorylase","FASD"],"enzyme_classes":["4.1.2.25","2.7.6.3","2.5.1.15"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-carbon lyase activity"},{"category":"Function","description":" transferase activity, transferring alkyl or aryl (other than methyl) groups"},{"category":"Function","description":" diphosphotransferase activity"},{"category":"Function","description":" 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity"},{"category":"Function","description":" aldehyde-lyase activity"},{"category":"Function","description":" dihydroneopterin aldolase activity"},{"category":"Function","description":" dihydropteroate synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" folic acid and derivative metabolic process"},{"category":"Process","description":" folic acid and derivative biosynthetic process"},{"category":"Process","description":" pteridine and derivative metabolic process"},{"category":"Process","description":" tetrahydrofolate biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"FolB","identifier":"PF02152"},{"name":"HPPK","identifier":"PF01288"},{"name":"Pterin_bind","identifier":"PF00809"}],"pathways":[{"name":"Folate biosynthesis","kegg_map_id":"00790"},{"name":"tetrahydrofolate biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGTCAAAGCTATTTTCTACTGTCAATTCTGCAAGACATAGTGTACCACTAGGCGGCATGAGAGATTATGTGCACATTAAGAAACTAGAGATGAATACAGTTCTTGGGCCTGATTCCTGGAATCAATTAATGCCTCAGAAATGTCTACTAAGCTTAGATATGGGTACAGATTTTAGTAAATCTGCGGCTACGGATGATTTGAAATATTCTCTAAATTATGCAGTTATTTCTCGTGATTTGACGAATTTCGTCAGCAAAAAAAAGAATTGGGGTTCTGTTTCTAATTTGGCTAAATCTGTGTCTCAATTTGTTATGGACAAATATTCTGGTGTCGAGTGTCTGAATTTAGAAGTGCAGGCGGATACAACGCATATTAGAAGTGACCACATATCTTGTATTATTCAACAAGAAAGAGGGAATCCAGAATCACAGGAATTTGACGTTGTTAGGATATCTGAGTTAAAAATGTTGACTTTGATTGGTGTTTTCACCTTTGAGAGACTTAAGAAACAGTATGTAACTTTGGATATAAAGTTGCCTTGGCCAAAGAAAGCCGAATTGCCACCGCCAGTGCAAAGCATAATTGATAACGTTGTCAAGTTTGTGGAGGAATCAAATTTCAAGACTGTGGAAGCTCTTGTAGAATCTGTGTCAGCTGTTATTGCCCATAACGAGTATTTTCAAAAGTTTCCAGATTCGCCTTTGGTGGTGAAGGTTTTGAAATTAAACGCAATCACAGCCACAGAAGGTGTTGGTGTAAGCTGTATTAGAGAGCCCAGGGAGATTGCGATGGTAAATATTCCATATCTTTCCTCCATACATGAATCGTCTGATATTAAGTTCCAATTGTCTTCATCACAAAACACTCCTATTGAGGGTAAAAATACATGGAAAAGAGCGTTTTTAGCGTTTGGTTCAAACATTGGGGACCGTTTCAAACACATTCAAATGGCGTTGCAATTATTATCAAGGGAAAAAACGGTTAAATTACGGAATATTTCGTCTATTTTTGAAAGTGAACCAATGTATTTCAAAGATCAAACCCCTTTCATGAATGGGTGTGTTGAGGTGGAGACATTACTGACCCCAAGCGAATTATTAAAATTGTGTAAAAAAATTGAATATGAAGAGTTGCAAAGAGTCAAGCATTTTGATAATGGTCCGAGAACAATAGATCTGGATATTGTTATGTTTTTGAATAGCGCCGGAGAAGATATTATAGTAAATGAACCGGATTTGAATATACCGCATCCTAGAATGCTGGAGAGGACTTTCGTTCTTGAGCCGTTATGTGAATTAATATCCCCCGTTCACCTTCATCCTGTGACAGCGGAACCCATTGTAGACCATTTAAAACAGTTATACGACAAACAGCATGATGAAGATACCTTATGGAAATTAGTTCCATTGCCTTATCGTAGTGGTGTGGAGCCTAGATTTTTGAAATTCAAGACCGCTACAAAACTTGACGAATTTACTGGAGAAACAAACAGAATTACTGTTTCACCTACATATATCATGGCTATCTTCAACGCTACACCAGATTCATTTTCCGATGGAGGTGAGCATTTTGCGGACATTGAAAGTCAATTGAATGATATCATTAAATTGTGTAAAGACGCATTATATTTGCATGAGAGCGTCATCATCGACGTTGGAGGGTGTTCTACCAGGCCTAACTCTATTCAGGCGTCTGAGGAAGAAGAAATACGCAGGTCTATCCCATTAATTAAGGCCATTAGAGAAAGCACTGAGTTACCGCAAGATAAAGTCATACTATCCATTGATACTTATCGTTCCAATGTCGCTAAAGAAGCGATTAAAGTTGGAGTGGATATTATTAATGATATTTCGGGAGGTTTATTTGACAGCAACATGTTTGCCGTAATTGCAGAGAACCCAGAAATTTGTTATATTTTATCACACACACGTGGTGATATTTCAACGATGAATAGGCTGGCGCATTACGAAAATTTTGCATTGGGTGATTCTATTCAGCAAGAATTTGTTCATAATACCGACATTCAGCAGCTAGACGACTTGAAAGACAAAACAGTGTTAATCAGGAATGTTGGTCAAGAAATTGGCGAAAGGTATATCAAAGCGATTGATAATGGAGTAAAGCGCTGGCAAATTCTAATCGACCCTGGACTTGGTTTTGCTAAGACCTGGAAGCAAAACTTACAAATTATTAGACATATCCCCATTTTAAAGAACTACTCATTCACCATGAACTCAAACAATTCGCAAGTGTATGTTAACCTCAGAAATATGCCCGTTTTATTGGGTCCATCGCGCAAAAAATTCATTGGACATATCACAAAAGATGTGGATGCGAAGCAAAGAGACTTTGCTACTGGAGCGGTGGTAGCGTCGTGTATTGGTTTCGGCAGCGACATGGTTAGGGTCCATGACGTTAAAAATTGTTCGAAGAGCATTAAATTAGCAGATGCTATTTATAAAGGTTTGGAATAA","protein_sequence":"MSKLFSTVNSARHSVPLGGMRDYVHIKKLEMNTVLGPDSWNQLMPQKCLLSLDMGTDFSKSAATDDLKYSLNYAVISRDLTNFVSKKKNWGSVSNLAKSVSQFVMDKYSGVECLNLEVQADTTHIRSDHISCIIQQERGNPESQEFDVVRISELKMLTLIGVFTFERLKKQYVTLDIKLPWPKKAELPPPVQSIIDNVVKFVEESNFKTVEALVESVSAVIAHNEYFQKFPDSPLVVKVLKLNAITATEGVGVSCIREPREIAMVNIPYLSSIHESSDIKFQLSSSQNTPIEGKNTWKRAFLAFGSNIGDRFKHIQMALQLLSREKTVKLRNISSIFESEPMYFKDQTPFMNGCVEVETLLTPSELLKLCKKIEYEELQRVKHFDNGPRTIDLDIVMFLNSAGEDIIVNEPDLNIPHPRMLERTFVLEPLCELISPVHLHPVTAEPIVDHLKQLYDKQHDEDTLWKLVPLPYRSGVEPRFLKFKTATKLDEFTGETNRITVSPTYIMAIFNATPDSFSDGGEHFADIESQLNDIIKLCKDALYLHESVIIDVGGCSTRPNSIQASEEEEIRRSIPLIKAIRESTELPQDKVILSIDTYRSNVAKEAIKVGVDIINDISGGLFDSNMFAVIAENPEICYILSHTRGDISTMNRLAHYENFALGDSIQQEFVHNTDIQQLDDLKDKTVLIRNVGQEIGERYIKAIDNGVKRWQILIDPGLGFAKTWKQNLQIIRHIPILKNYSFTMNSNNSQVYVNLRNMPVLLGPSRKKFIGHITKDVDAKQRDFATGAVVASCIGFGSDMVRVHDVKNCSKSIKLADAIYKGLE"}]}