{"ymdb_id":"YMDB00356","created_at":"2011-05-29T18:09:11.000Z","updated_at":"2016-09-08T18:35:23.000Z","name":"(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate(3-)","cas":null,"state":null,"melting_point":null,"description":"(2-Amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate(3-) is an intermediate in the tetrahydrofolate biosynthesis pathway. Tetrahydrofolate (vitamin B9) is the parent structure of the large family of folates coenzymes. Folates are essential cofactors that facilitate the transfer of one-carbon units from donor molecules into important biosynthetic pathways leading to methionine, purine, and pyrimidine biosynthesis. [Biocyc PWY-6614]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"15998","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"646","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"({[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methoxy](hydroxy)phosphoryl}oxy)phosphonic acid","traditional_iupac":"[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methoxy(hydroxy)phosphoryl]oxyphosphonic acid","logp":"-2.607077504111404","pka":"3.1978473453823777","alogps_solubility":"4.13e+00 g/l","alogps_logp":"-1.41","alogps_logs":"-1.93","acceptor_count":"10","donor_count":"6","rotatable_bond_count":"5","polar_surface_area":"205.15999999999997","refractivity":"79.60269999999998","polarizability":"27.510605159708383","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"0.43217034114810493","pka_strongest_acidic":"1.7822465904469817","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate trianion"],"pathways":[],"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."}],"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":" catalytic activity"},{"category":"Function","description":" dihydropteroate synthase activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" tetrahydrofolate 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"},{"category":"Process","description":" folic acid and derivative biosynthetic process"},{"category":"Process","description":" pteridine and derivative 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"}]}