{"ymdb_id":"YMDB00726","created_at":"2011-05-29T18:46:58.000Z","updated_at":"2016-09-08T18:35:49.000Z","name":"N-Formyl-L-tyrosine","cas":null,"state":null,"melting_point":null,"description":"N-Formyl-L-tyrosine is a N-formyl aminoacid derived from tyrosine. It is thought to be a precursor in spore wall formation of S. cerevisiae. [PMID: 8706696]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"50603","hmdb_id":null,"kegg_id":null,"pubchem_id":"13025455","cs_id":"18525997","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S)-3-(4-hydroxyphenyl)-2-formamidopropanoic acid","traditional_iupac":"N-formyl-L-tyrosine","logp":"0.5441976263333335","pka":"9.50465813732441","alogps_solubility":"3.15e+00 g/l","alogps_logp":"0.69","alogps_logs":"-1.82","acceptor_count":"4","donor_count":"3","rotatable_bond_count":"4","polar_surface_area":"86.63","refractivity":"52.0505","polarizability":"19.965014541440375","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-1.2228447367786148","pka_strongest_acidic":"3.573536294666816","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["N-Formyl tyrosine"],"pathways":[],"growth_conditions":[],"references":[{"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":8706696,"citation":"Briza, P., Kalchhauser, H., Pittenauer, E., Allmaier, G., Breitenbach, M. (1996). \"N,N'-Bisformyl dityrosine is an in vivo precursor of the yeast ascospore wall.\" Eur J Biochem 239:124-131."},{"pubmed_id":18663031,"citation":"Melo, N. R., Moran, G. P., Warrilow, A. G., Dudley, E., Smith, S. N., Sullivan, D. J., Lamb, D. C., Kelly, D. E., Coleman, D. C., Kelly, S. L. (2008). \"CYP56 (Dit2p) in Candida albicans: characterization and investigation of its role in growth and antifungal drug susceptibility.\" Antimicrob Agents Chemother 52:3718-3724."}],"proteins":[{"created_at":"2011-05-27T07:06:11.000Z","updated_at":"2011-05-27T15:01:27.000Z","name":"Spore wall maturation protein DIT1","uniprot_id":"P21623","uniprot_name":"DIT1_YEAST","enzyme":true,"transporter":false,"gene_name":"DIT1","num_residues":536,"molecular_weight":"61390.10156","theoretical_pi":"6.51","general_function":"Secondary metabolites biosynthesis, transport and catabolism","specific_function":"Involved in spore wall maturation. Catalyzes a two step reaction that leads to the LL-dityrosine containing precursor of the spore wall","reactions":[{"id":1708,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"U32274","genbank_protein_id":"927334","gene_card_id":"DIT1","chromosome_location":"chromosome 4","locus":"YDR403W","synonyms":[],"enzyme_classes":[],"go_classes":[],"pfams":[{"name":"DIT1_PvcA","identifier":"PF05141"}],"pathways":[],"gene_sequence":"ATGACATTTACTAGCAACTTGCCCTCAAGCTCCGAGCAGTCAATATCACCACCTGCCTCTTCATTTTCTTCATCGACTGATACGTTGAAAGATATTGATATTCCCCATAATGGGGCCGATTTGTCTACATATAGTAAATTTCTGGCCCTGTATTGCAGAAGCGACAAATGTGACGATTTTTACTCTTTAGAGGAAAAACAGAATTGTAAATTTGGAGACCAATGGCTCGACTTTATCAACACTATTCACAATCTGGACTTTTCTGAATCCGAAGTAAGTGGACGGGTTTCTGAAAGAATTTTGCCAGCTTCTTTAGCAAATAAATTTACCAATAATTTAGGAGTGGCAATAAAGATTTCTGAATATACACGCGATGACGAACGCCAGATTCGTGGGTGTGTTACAACAGTTGAGAATGAAAATTCTTTCAATAACTGGTTCGTATATCATATTTTAGACCAATCTCAATTATCTCTAAGTGAACATCCAATTGTAACCAAAGAAGTTAAGTATCACGAATTATTTGCAGATTTTTTTGAGAAAAATTTGAAAAACACAATAGTTAATGATCAATGGAATTTTGGTGGCCGTGATTATTTTATTGAACGTTCAAGATATTTTACCGATCGATATTTGAGAATTGAATGCATCTTGCCAGCGTTTCCATGTAAGTCATCTAATGAGCAAAAAGTGTACGGTTCCGTTCCTGACAAAGGCGAAGAACTCGCTTTGAAAAGATTAATAAAAGCCACACAAGACCTTGTCAAGATATATCCACCGGGTATGAAAATTTGGATAGTTAGTGATGGCCATGTTTTCTCCGATTGTATTGGGGTCGATGATGACGTCGTGAGTACTTACACGACCAAATTGCACGAACTGTATAAAAGAGTGGCTATACCTGGTGTTGACGCCATTGGCTTTTGTGGATTGAACGATTTATTTTTTAGCGGTGCAGCTAGTAAAGTTTTCGATCCAAAGTGGGTTAGTGATGTTGAAGTTGCACACTACACAGGAACTCAAATCTGTCCTAAGTCCGATTTGTCGAGACAGATTTTGATGAAAGGCTGTGATACAGATGCAGGTCGTTTGAGAAAGCAGATTGCAATAGAAGGACATCCAAGATTGCATCTGTATAGGGGCTTTTCACGTTTTATGATGGAAGATTTATCTCTACTGGAACATTTCCAAAGTTATTCCAGAAAAAAATTCAAGAAAATCATTTCAATGATCGCTTTTAACATGATTAAGAGAAATGACGCGTATTCGAACTTAGTGGAATTGATATTCCCTCATCATTTGAGAATTTCTATTCATGCGCACACTAACAGCGGGCCCAAATTTGGTATAAAAGTAATCTCCAACGAACAGTGTTCTATTGTTAGTTCGTTAGAAGACCTTGATGAACCCAAATTTGAAGATTTTTTACATATTCCCACACCTTGGCATAATTGTGTCGTGAAGGTTGAGGATGAAAAGGAGAAATACTTTTTGACAAAATCAAAAGTAGTCAAGGAGGCTCTCGAAAAGGGTATGTATGATGGTGTATGGAAAGATACTCGTTTCGATATTGGAGAAGGAGGACATTTCGTTATCAAGAAAATCTCTTAA","protein_sequence":"MTFTSNLPSSSEQSISPPASSFSSSTDTLKDIDIPHNGADLSTYSKFLALYCRSDKCDDFYSLEEKQNCKFGDQWLDFINTIHNLDFSESEVSGRVSERILPASLANKFTNNLGVAIKISEYTRDDERQIRGCVTTVENENSFNNWFVYHILDQSQLSLSEHPIVTKEVKYHELFADFFEKNLKNTIVNDQWNFGGRDYFIERSRYFTDRYLRIECILPAFPCKSSNEQKVYGSVPDKGEELALKRLIKATQDLVKIYPPGMKIWIVSDGHVFSDCIGVDDDVVSTYTTKLHELYKRVAIPGVDAIGFCGLNDLFFSGAASKVFDPKWVSDVEVAHYTGTQICPKSDLSRQILMKGCDTDAGRLRKQIAIEGHPRLHLYRGFSRFMMEDLSLLEHFQSYSRKKFKKIISMIAFNMIKRNDAYSNLVELIFPHHLRISIHAHTNSGPKFGIKVISNEQCSIVSSLEDLDEPKFEDFLHIPTPWHNCVVKVEDEKEKYFLTKSKVVKEALEKGMYDGVWKDTRFDIGEGGHFVIKKIS"},{"created_at":"2011-05-27T07:22:30.000Z","updated_at":"2011-05-27T15:01:28.000Z","name":"NADPH--cytochrome P450 reductase","uniprot_id":"P16603","uniprot_name":"NCPR_YEAST","enzyme":true,"transporter":false,"gene_name":"NCP1","num_residues":691,"molecular_weight":"76771.10156","theoretical_pi":"4.8","general_function":"Involved in oxidoreductase activity","specific_function":"This enzyme is required for electron transfer from NADP to cytochrome P450 in microsomes. It can also provide electron transfer to heme oxygenase and cytochrome B5","reactions":[{"id":2811,"direction":"\u003e","locations":"Endoplasmic reticulum membrane; Single-pass membrane protein","altext":"NADPH + n oxidized hemoprotein = NADP(+) + n reduced hemoprotein.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"8-24","pdb_id":null,"cellular_location":"Endoplasmic reticulum membrane; Single-pass membrane protein","genbank_gene_id":"AY693091","genbank_protein_id":"51013633","gene_card_id":"NCP1","chromosome_location":"chromosome 8","locus":"YHR042W","synonyms":["CPR","P450R"],"enzyme_classes":["1.6.2.4"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" FMN binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" iron ion binding"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" oxidation reduction"}],"pfams":[{"name":"NAD_binding_1","identifier":"PF00175"},{"name":"Flavodoxin_1","identifier":"PF00258"},{"name":"FAD_binding_1","identifier":"PF00667"}],"pathways":[],"gene_sequence":"ATGCCGTTTGGAATAGACAACACCGACTTCACTGTCCTGGCGGGGCTAGTGCTTGCCGTGCTACTGTACGTAAAGAGAAACTCCATCAAGGAACTGCTGATGTCCGATGACGGAGATATCACAGCTGTCAGCTCGGGCAACAGGGACATTGCTCAGGTGGTGACCGAAAACAACAAGAACTACTTGGTGTTGTATGCGTCGCAGACTGGGACTGCCGAGGATTACGCCAAAAAGTTTTCCAAGGAGCTGGTGGCCAAGTTCAACCTAAACGTGATGTGCGCAGATGTTGAGAACTACGACTTTGAGTCGCTAAACGATGTGCCCGTCATAGTCTCGATTTTTATCTCTACATATGGTGAAGGAGACTTCCCCGACGGGGCGGTCAACTTTGAAGACTTTATTTGTAATGCGGAAGCGGGTGCACTATCGAACCTGAGGTATAATATGTTTGGTCTGGGAAATTCTACTTATGAATTCTTTAATGGTGCCGCCAAGAAGGCCGAGAAGCATCTCTCCGCCGCGGGCGCTATCAGACTAGGCAAGCTCGGTGAAGCTGATGATGGTGCAGGAACTACAGACGAAGATTACATGGCCTGGAAGGACTCCATCCTGGAGGTTTTGAAAGACGAACTGCATTTGGACGAACAGGAAGCCAAGTTCACCTCTCAATTCCAGTACACTGTGTTGAACGAAATCACTGACTCCATGTCGCTTGGTGAACCCTCTGCTCACTATTTGCCCTCGCATCAGTTGAACCGCAACGCAGACGGCATCCAATTGGGTCCCTTCGATTTGTCTCAACCGTATATTGCACCCATCGTGAAATCTCGCGAACTGTTCTCTTCCAATGACCGTAATTGCATCCACTCTGAATTTGACTTGTCCGGCTCTAACATCAAGTACTCCACTGGTGACCATCTTGCTGTTTGGCCTTCCAACCCATTGGAAAAGGTCGAACAGTTCTTATCCATATTCAACCTGGACCCTGAAACCATTTTTGACTTGAAGCCCCTGGATCCCACCGTCAAAGTGCCCTTCCCAACGCCAACTACTATTGGCGCTGCTATTAAACACTATTTGGAAATTACAGGACCTGTCTCCAGACAATTGTTTTCATCTTTGATTCAGTTCGCCCCCAACGCTGACGTCAAGGAAAAATTGACTCTGCTTTCGAAAGACAAGGACCAATTCGCCGTCGAGATAACCTCCAAATATTTCAACATCGCAGATGCTCTGAAATATTTGTCTGATGGCGCCAAATGGGACACCGTACCCATGCAATTCTTGGTCGAATCAGTTCCCCAAATGACTCCTCGTTACTACTCTATCTCTTCCTCTTCTCTGTCTGAAAAGCAAACCGTCCATGTCACCTCCATTGTGGAAAACTTTCCTAACCCAGAATTGCCTGATGCTCCTCCAGTTGTTGGTGTTACGACTAACTTGTTAAGAAACATTCAATTGGCTCAAAACAATGTTAACATTGCCGAAACTAACCTACCTGTTCACTACGATTTAAATGGCCCACGTAAACTTTTCGCCAATTACAAATTGCCCGTCCACGTTCGTCGTTCTAACTTCAGATTGCCTTCCAACCCTTCCACCCCAGTTATCATGATCGGTCCAGGTACCGGTGTTGCCCCATTCCGTGGGTTTATCAGAGAGCGTGTCGCGTTCCTCGAATCACAAAAGAAGGGCGGTAACAACGTTTCGCTAGGTAAGCATATACTGTTTTATGGATCCCGTAACACTGATGATTTCTTGTACCAGGACGAATGGCCAGAATACGCCAAAAAATTGGATGGTTCGTTCGAAATGGTCGTGGCCCATTCCAGGTTGCCAAACACCAAAAAAGTCTATGTTCAAGATAAATTAAAGGATTACGAAGACCAAGTATTTGAAATGATTAACAACGGTGCATTTATCTACGTCTGTGGTGATGCAAAGGGTATGGCCAAGGGTGTGTCAACCGCATTGGTTGGCATCTTATCCCGTGGTAAATCCATTACCACTGATGAAGCAACAGAGCTAATCAAGATGCTCAAGACTTCAGGTAGATACCAAGAAGATGTCTGGTAA","protein_sequence":"MPFGIDNTDFTVLAGLVLAVLLYVKRNSIKELLMSDDGDITAVSSGNRDIAQVVTENNKNYLVLYASQTGTAEDYAKKFSKELVAKFNLNVMCADVENYDFESLNDVPVIVSIFISTYGEGDFPDGAVNFEDFICNAEAGALSNLRYNMFGLGNSTYEFFNGAAKKAEKHLSAAGAIRLGKLGEADDGAGTTDEDYMAWKDSILEVLKDELHLDEQEAKFTSQFQYTVLNEITDSMSLGEPSAHYLPSHQLNRNADGIQLGPFDLSQPYIAPIVKSRELFSSNDRNCIHSEFDLSGSNIKYSTGDHLAVWPSNPLEKVEQFLSIFNLDPETIFDLKPLDPTVKVPFPTPTTIGAAIKHYLEITGPVSRQLFSSLIQFAPNADVKEKLTLLSKDKDQFAVEITSKYFNIADALKYLSDGAKWDTVPMQFLVESVPQMTPRYYSISSSSLSEKQTVHVTSIVENFPNPELPDAPPVVGVTTNLLRNIQLAQNNVNIAETNLPVHYDLNGPRKLFANYKLPVHVRRSNFRLPSNPSTPVIMIGPGTGVAPFRGFIRERVAFLESQKKGGNNVSLGKHILFYGSRNTDDFLYQDEWPEYAKKLDGSFEMVVAHSRLPNTKKVYVQDKLKDYEDQVFEMINNGAFIYVCGDAKGMAKGVSTALVGILSRGKSITTDEATELIKMLKTSGRYQEDVW"}]}