{"ymdb_id":"YMDB00128","created_at":"2011-05-29T15:59:32.000Z","updated_at":"2016-09-08T18:35:04.000Z","name":"4-amino-2-methyl-5-phosphomethylpyrimidine","cas":null,"state":null,"melting_point":null,"description":"4-Amino-2-methyl-5-phosphomethylpyrimidine is an intermediate in thiamine biosynthesis. [Biocyc THISYNARA-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"18032","hmdb_id":null,"kegg_id":"C04556","pubchem_id":"216","cs_id":"211","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methoxy]phosphonic acid","traditional_iupac":"(4-imino-2-methyl-3H-pyrimidin-5-yl)methoxyphosphonic acid","logp":"-1.8085892731666544","pka":"6.613949242433612","alogps_solubility":"7.57e-01 g/l","alogps_logp":"-1.06","alogps_logs":"-2.46","acceptor_count":"6","donor_count":"4","rotatable_bond_count":"3","polar_surface_area":"115.00000000000001","refractivity":"58.8264","polarizability":"18.825297834219008","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"7.588072702550217","pka_strongest_acidic":"1.6236681682608518","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-Amino-2-methyl-5-phosphomethylpyrimidine","4-Amino-5-phosphomethyl-2-methylpyrimidine"],"pathways":[{"name":"Thiamine metabolism","kegg_map_id":"00730"},{"name":"Vitamin B1/Thiamine metabolism","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":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":2170344,"citation":"Kawasaki, Y., Nosaka, K., Kaneko, Y., Nishimura, H., Iwashima, A. (1990). \"Regulation of thiamine biosynthesis in Saccharomyces cerevisiae.\" J Bacteriol 172:6145-6147."},{"pubmed_id":10383756,"citation":"Llorente, B., Fairhead, C., Dujon, B. (1999). \"Genetic redundancy and gene fusion in the genome of the Baker's yeast Saccharomyces cerevisiae: functional characterization of a three-member gene family involved in the thiamine biosynthetic pathway.\" Mol Microbiol 32:1140-1152."}],"proteins":[{"created_at":"2011-05-26T20:54:30.000Z","updated_at":"2011-05-27T15:01:10.000Z","name":"Hydroxymethylpyrimidine/phosphomethylpyrimidine kinase THI21","uniprot_id":"Q08975","uniprot_name":"THI21_YEAST","enzyme":true,"transporter":false,"gene_name":"THI21","num_residues":551,"molecular_weight":"61333.69922","theoretical_pi":"5.77","general_function":"Involved in phosphomethylpyrimidine kinase activity","specific_function":"Catalyzes the phosphorylation of hydroxymethylpyrimidine phosphate (HMP-P) to HMP-PP, and also probaby that of HMP to HMP- P","reactions":[{"id":1650,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1877,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2601,"direction":"\u003e","locations":"","altext":"ATP + 4-amino-5-hydroxymethyl-2-methylpyrimidine = ADP + 4-amino-5-phosphonooxymethyl-2-methylpyrimidine.","export":false,"pw_reaction_id":null,"source":null},{"id":2602,"direction":"\u003e","locations":"","altext":"ATP + 4-amino-2-methyl-5-phosphomethylpyrimidine = ADP + 4-amino-2-methyl-5-diphosphomethylpyrimidine.","export":false,"pw_reaction_id":null,"source":null},{"id":14435,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006949","source":"Smpdb"},{"id":14436,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006950","source":"Smpdb"},{"id":14437,"direction":null,"locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006951","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z73614","genbank_protein_id":"1370532","gene_card_id":"THI21","chromosome_location":"chromosome 16","locus":"YPL258C","synonyms":["Hydroxymethylpyrimidine kinase","HMP kinase","Hydroxymethylpyrimidine phosphate kinase","HMP-P kinase","HMP-phosphate kinase","HMPP kinase"],"enzyme_classes":["2.7.1.49","2.7.4.7"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" phosphomethylpyrimidine kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" thiamin and derivative metabolic process"},{"category":"Process","description":" thiamin metabolic process"},{"category":"Process","description":" thiamin biosynthetic process"}],"pfams":[{"name":"Phos_pyr_kin","identifier":"PF08543"},{"name":"TENA_THI-4","identifier":"PF03070"}],"pathways":[{"name":"Thiamine metabolism","kegg_map_id":"00730"},{"name":"Vitamin B1/Thiamine 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kinase THI20","uniprot_id":"Q08224","uniprot_name":"THI20_YEAST","enzyme":true,"transporter":false,"gene_name":"THI20","num_residues":551,"molecular_weight":"61268.89844","theoretical_pi":"6.08","general_function":"Involved in phosphomethylpyrimidine kinase activity","specific_function":"Catalyzes the phosphorylation of hydroxymethylpyrimidine phosphate (HMP-P) to HMP-PP, and also probaby that of HMP to HMP- P","reactions":[{"id":1650,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1877,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2601,"direction":"\u003e","locations":"","altext":"ATP + 4-amino-5-hydroxymethyl-2-methylpyrimidine = ADP + 4-amino-5-phosphonooxymethyl-2-methylpyrimidine.","export":false,"pw_reaction_id":null,"source":null},{"id":2602,"direction":"\u003e","locations":"","altext":"ATP + 4-amino-2-methyl-5-phosphomethylpyrimidine = ADP + 4-amino-2-methyl-5-diphosphomethylpyrimidine.","export":false,"pw_reaction_id":null,"source":null},{"id":2603,"direction":"\u003e","locations":null,"altext":"thiamine + H2O = 4-amino-5-hydroxymethyl-2-methylpyrimidine + 5-(2-hydroxyethyl)-4-methylthiazole.","export":false,"pw_reaction_id":null,"source":null},{"id":14435,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006949","source":"Smpdb"},{"id":14436,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006950","source":"Smpdb"},{"id":14437,"direction":null,"locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006951","source":"Smpdb"},{"id":14438,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006952","source":"Smpdb"},{"id":14439,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006955","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY692780","genbank_protein_id":"51013011","gene_card_id":"THI20","chromosome_location":"chromosome 15","locus":"YOL055C","synonyms":["Hydroxymethylpyrimidine kinase","HMP kinase","Hydroxymethylpyrimidine phosphate kinase","HMP-P kinase","HMP-phosphate kinase","HMPP kinase"],"enzyme_classes":["2.7.1.49","2.7.4.7","3.5.99.2"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" phosphomethylpyrimidine kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular aromatic compound metabolic process"},{"category":"Process","description":" thiamin and derivative metabolic process"},{"category":"Process","description":" thiamin metabolic process"},{"category":"Process","description":" thiamin biosynthetic process"}],"pfams":[{"name":"Phos_pyr_kin","identifier":"PF08543"},{"name":"TENA_THI-4","identifier":"PF03070"}],"pathways":[{"name":"Thiamine metabolism","kegg_map_id":"00730"},{"name":"Vitamin B1/Thiamine metabolism","kegg_map_id":null}],"gene_sequence":"ATGACCTATTCTACAGTTAGCATCAACACGCCTCCACCATATCTTACTTTAGCCTGCAACGAAAAGTTGCCAACAGTTTTATCCATTGCTGGAACAGATCCAAGTGGTGGAGCCGGTATCGAAGCTGATGTCAAAACTATCACAGCACACAGATGTTATGCCATGACATGTATCACTGCTTTAAATGCTCAAACTCCAGTTAAAGTCTACAGCATAAATAACACACCAAAAGAAGTGGTTTTCCAAACTTTGGAATCCAATTTAAAGGATATGAAATGTAATGTTATCAAAACCGGTATGCTTACCGCAGCTGCTATCGAAGTCTTGCACGAAAAACTGCTGCAACTCGGCGAAAATAGACCTAAGTTGGTTGTTGATCCAGTTCTTGTCGCTACTTCTGGTTCTTCTTTAGCTGGAAAGGATATAGTTAGTTTGATTACGGAGAAGGTTGCACCTTTTGCTGATATTTTGACTCCTAACATCCCAGAGTGTTACAAATTGTTAGGTGAGGAAAGAAAGGTTAACGGATTACAGGATATTTTCCAAATCGCAAAAGACCTTGCTAAAATAACCAAGTGTTCGAATATACTAGTGAAGGGTGGCCATATTCCATGGAATGATGAAAAGGAAAAGTACATTACCGACGTTCTTTTCTTGGGTGCTGAACAAAAATTCATTATCTTTAAAGGCAATTTCGTTAACACCACGCATACACATGGTACTGGGTGCACACTAGCTTCTGCCATTGCATCAAACTTGGCTCGTGGTTATTCTCTTCCTCAGTCTGTTTATGGTGGTATTGAATACGTCCAAAATGCCGTGGCAATTGGTTGTGATGTCACAAAAGAAACTGTCAAGGATAATGGACCAATTAATCATGTTTACGCCGTGGAAATTCCATTGGAGAAAATGCTCAGTGATGAATGTTTTACTGCATCAGATGTTATACCTAAAAAGCCGCTCAAAGGTGCTGCTGACAAAATCCCAGGCGGTAATTTCTATGAATACCTGATCAATCACCCTAAAGTTAAGCCACACTGGGATTCCTATATTAACCATGAGTTTGTTAAAAAGGTTGCGGACGGTACATTAGAACGTAAGAAGTTTCAGTTCTTTATTGAACAAGATTATGCATACTTGGTTGATTATGCTAGAGTTCATTGTATCGCGGGTAGTAAAGCTCCATGCCTAGAAGATATGGAAAAGGAGCTAGTCATTGTTGGAGGTGTTCGTACTGAAATGGGTCAACATGAAAAGAGATTAAAAGAAGTATTTGGTGTTAAAGATCCTGATTACTTTCAAAAGATTAAGAGAGGACCTGCATTAAGAGCTTACTCTCGTTACTTTAACGATGTTTCCAGAAGAGGTAACTGGCAAGAATTGGTTGCATCCCTTACTCCTTGTTTGATGGGTTATGGTGAAGCTTTAACTAAAATGAAGGGTAAAGTCACCGCACCTGAAGGGTCCGTTTACCACGAATGGTGTGAAACTTACGCATCTTCATGGTATCGTGAAGCCATGGATGAAGGTGAAAAACTTTTGAACCACATCTTAGAAACATACCCTCCAGAGCAACTTGACACTTTAGTAACAATCTACGCTGAAGTTTGTGAATTAGAAACAAATTTTTGGACCGCTGCGCTAGAATACGAGTAG","protein_sequence":"MTYSTVSINTPPPYLTLACNEKLPTVLSIAGTDPSGGAGIEADVKTITAHRCYAMTCITALNAQTPVKVYSINNTPKEVVFQTLESNLKDMKCNVIKTGMLTAAAIEVLHEKLLQLGENRPKLVVDPVLVATSGSSLAGKDIVSLITEKVAPFADILTPNIPECYKLLGEERKVNGLQDIFQIAKDLAKITKCSNILVKGGHIPWNDEKEKYITDVLFLGAEQKFIIFKGNFVNTTHTHGTGCTLASAIASNLARGYSLPQSVYGGIEYVQNAVAIGCDVTKETVKDNGPINHVYAVEIPLEKMLSDECFTASDVIPKKPLKSAADKIPGGNFYEYLINHPKVKPHWDSYINHEFVKKVADGTLERKKFQFFIEQDYAYLVDYARVHCIAGSKAPCLEDMEKELVIVGGVRTEMGQHEKRLKEVFGVKDPDYFQKIKRGPALRAYSRYFNDVSRRGNWQELVASLTPCLMGYGEALTKMKGKVTAPEGSVYHEWCETYASSWYREAMDEGEKLLNHILETYPPEQLDTLVTIYAEVCELETNFWTAALEYE"},{"created_at":"2011-05-27T02:10:54.000Z","updated_at":"2011-05-27T15:01:17.000Z","name":"Thiamine biosynthesis protein THI22","uniprot_id":"Q06490","uniprot_name":"THI22_YEAST","enzyme":true,"transporter":false,"gene_name":"THI22","num_residues":572,"molecular_weight":"63306.39844","theoretical_pi":"5.81","general_function":"Coenzyme transport and metabolism","specific_function":"Essential for thiamine biosynthesis","reactions":[{"id":1650,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1877,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"1-19","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Secreted (Potential)","genbank_gene_id":"U40828","genbank_protein_id":"1066472","gene_card_id":"THI22","chromosome_location":"chromosome 16","locus":"YPR121W","synonyms":[],"enzyme_classes":[],"go_classes":[],"pfams":[{"name":"Phos_pyr_kin","identifier":"PF08543"},{"name":"TENA_THI-4","identifier":"PF03070"}],"pathways":[],"gene_sequence":"ATGGTTATCATCCTCCTAGGTCTTTGCACATTAGGTTTTCCAAGAACAGCATTCTGTCCCTCCATAATGACAAATTCTACAGTGAGTATTAACACGCCTCCACCATATCTTACTCTAGCTTGTAATGAAAAATTACCAACAGTTATGTCAATTGCTGGATCAGACTCAAGTGGTGGAGCCGGTGTTGAAGCTGATATTAAGACTATCACCGCACACAGATGTTATGCCATGACATGCGTCACTACTTTGACTGCTCAAACTCCAGTGAAGGTGTACGGCGCTCATAATATACCAAAGAAAATGGTATCTCAAATATTAGACGCCAATTTACAGGACATGAAATGTAATGTTATTAAGACTGGCATGCTTACGGTGGATGCAATCGAAGTCTTGCACGAAAAACTTTTGCAACTTGGTGAAAATAGACCCAAGTTAGTAATTGATCCAGTTCTTTGCGCCGCTTCTGACTCTTCTCCAACTGGAAAGGATGTGGTTAGCTTAATCATAGAAAAAATTTCTCCTTTTGCCGACATTTTAACTCCTAACATTTCAGACTGTTTCATGTTACTGGGCGAGAACAGAGAAGTTAGCAAACTACAAGACGTTCTTGAAATCGCGAAAGACCTTTCTAGAATCACCAATTGCTCCAATATTTTAGTGAAGGGAGGCCACATTCCATGTGACGATGGAAAAGAAAAGCATATTACTGACGTTCTTTACTTAGGTGCTGAACAAAAATTCATCACTTTTAAGGGCCAATTCGTTAATACTACACGCACTCATGGCGCTGGATGCACACTGGCTTCTGCTATAGCATCTAACTTGGCTCGCGGTTATTCTCTTTCCCAATCTGTTTATGGTGGTATTGAGTATGTACAGAATGCCATCGCAATTGGCTGTGACGTTACCAAGAAAGCTGTGAAGGTTGGACCAATTAATCACGTTTACGCCGTAGAGATTCCATTAGAAAAAATGCTCACCGACGAATGCTTTACAGCATCTGATGCTGTACCTAAGAAGCCAATCGAAGGTTCTCTTGACAAAATCCCTGGGGGTAGCTTCTTTAATTATCTGATAAATCATCCTAAAGTCAAGCCGCATTGGGATGCCTACGTGAATCACGAATTTGTTAAAAGAGTGGCAGACGGCACATTGGAACGCAAAAAGTTCCAGTTTTTTATTGAACAAGATTATTTATACTTAATTGATTATGTGAGAGTTTGCTGCGTCACAGGTAGTAAATCTCCAACTCTAGAAGATCTAGAAAAGGACCTTGTTATTGCTGATTGCGCCCGTAATGAACTAAATGAACATGAAAGAAGATTAAGAGAAGAATTTGGAGTTAAGGACCCAGATTACTTACAAAAAATTAAGAGAGGTCCCGCATTAAGGGCCTACTGTCGTTACCTAATTGACATTTCCAGAAGAGGAAACTGGCAAGAAATAGTTGTAGCCCTCAACCCTTGTCTAATGGGTTATGTTTATGCTGTAGACAAAGTTAAGGATAAGATAACAGCAGCAGAGGGTTCTATTTATAGTGAATGGTGTGATACTTGCGCGTCTTCATTTTGCTACCAAGCTGTGCTTGAAGGTGAAAGGCTCATGAATCACATCTTGGAAACATATCCTCCAGATCAACTTGATTCTTTGGTGACGATCTTTGCAAGAGGTTGTGAATTAGAAACTAATTTCTGGACCGCCGCCATGGAATACGAATGA","protein_sequence":"MVIILLGLCTLGFPRTAFCPSIMTNSTVSINTPPPYLTLACNEKLPTVMSIAGSDSSGGAGVEADIKTITAHRCYAMTCVTTLTAQTPVKVYGAHNIPKKMVSQILDANLQDMKCNVIKTGMLTVDAIEVLHEKLLQLGENRPKLVIDPVLCAASDSSPTGKDVVSLIIEKISPFADILTPNISDCFMLLGENREVSKLQDVLEIAKDLSRITNCSNILVKGGHIPCDDGKEKHITDVLYLGAEQKFITFKGQFVNTTRTHGAGCTLASAIASNLARGYSLSQSVYGGIEYVQNAIAIGCDVTKKAVKVGPINHVYAVEIPLEKMLTDECFTASDAVPKKPIEGSLDKIPGGSFFNYLINHPKVKPHWDAYVNHEFVKRVADGTLERKKFQFFIEQDYLYLIDYVRVCCVTGSKSPTLEDLEKDLVIADCARNELNEHERRLREEFGVKDPDYLQKIKRGPALRAYCRYLIDISRRGNWQEIVVALNPCLMGYVYAVDKVKDKITAAEGSIYSEWCDTCASSFCYQAVLEGERLMNHILETYPPDQLDSLVTIFARGCELETNFWTAAMEYE"}]}