{"ymdb_id":"YMDB00739","created_at":"2011-05-29T18:48:40.000Z","updated_at":"2016-09-08T18:35:50.000Z","name":"N,N'-Diformyldityrosine","cas":null,"state":null,"melting_point":null,"description":"N,N'-Diformyldityrosine is a diformyl derivative of dityrosine, an amino acid. 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":"extracellular;cytoplasm","synthesis_reference":null,"chebi_id":"50611","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"21865768","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-{3-[5-(2-carboxy-2-formamidoethyl)-2-hydroxyphenyl]-4-hydroxyphenyl}-2-formamidopropanoic acid","traditional_iupac":"N,N'-bisformyl dityrosine","logp":"0.7623747986666664","pka":"3.859063593717842","alogps_solubility":"1.62e-01 g/l","alogps_logp":"0.88","alogps_logs":"-3.41","acceptor_count":"8","donor_count":"6","rotatable_bond_count":"9","polar_surface_area":"173.26","refractivity":"103.17920000000002","polarizability":"40.47105779656832","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-6.082524182999745","pka_strongest_acidic":"3.2560745662391195","bioavailability":"1","number_of_rings":"2","rule_of_five":"0","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["N,N'-bisformyl dityrosine"],"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."}],"proteins":[{"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":" metal ion binding"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" iron ion binding"},{"category":"Function","description":" oxidoreductase activity"},{"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":"Process","description":" oxidation reduction"},{"category":"Process","description":" metabolic process"}],"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"},{"created_at":"2011-05-27T09:34:22.000Z","updated_at":"2011-05-27T09:34:22.000Z","name":"Uncharacterized transporter YBR180W","uniprot_id":"P38125","uniprot_name":"YB30_YEAST","enzyme":false,"transporter":true,"gene_name":null,"num_residues":572,"molecular_weight":"63406.19922","theoretical_pi":"9.04","general_function":"Involved in transmembrane transport","specific_function":null,"reactions":[],"signal_regions":"None","transmembrane_regions":"111-131;150-170;185-205;208-228;241-261;268-288;367-387;399-419;447-469;473-493;521-541;543-563","pdb_id":null,"cellular_location":"Membrane; Multi-pass membrane protein","genbank_gene_id":"Z36049","genbank_protein_id":"536532","gene_card_id":null,"chromosome_location":null,"locus":"YBR180W","synonyms":[],"enzyme_classes":[],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" Not Available"},{"category":"Process","description":" transmembrane transport"},{"category":"Process","description":" establishment of localization"},{"category":"Process","description":" transport"}],"pfams":[{"name":"MFS_1","identifier":"PF07690"}],"pathways":[],"gene_sequence":"ATGGGAAGCGAACCGTTTCAGAAAAAGAATTTGGGTCTGCAAATTAATTCGCAAGAAAGTGGAACAACCCGCTCAACATTTCATTCGCTAGAAGATCTAGGAGATGATGTAATTAATGAAAGCTGGGATCAGGTGAACCAAAAGAGAGCCAATATAGATCATGATGTCTTTCATGAGCACCCTGACTCTTCCCCATCATTGTCAGCACAGAAAGCAAAAACAAAAGAAGAGGAAGTTGCTGTAAAGTCATCGAACTCCCAGTCAAGAGACCCTTCTCCTGATACTCAAGCACATATTCCATATACTTATTTTTCCAAGGATCAAAGACTAATCATTTTTGGAATTATCATTTTTATAGGATTTTTGGGCCCAATGTCTGGAAACATATATATACCGGCTTTACCATTGCTGCAAAGGGAATATGATGTAAGTGCAACAACAATAAACGCTACAGTTTCTGTATTTATGGCTGTTTTTTCCGTTGGTCCATTGTTTTGGGGCGCACTGGCGGATTTTGGTGGAAGGAAATTCTTATATATGGTGTCGTTATCACTAATGTTAATTGTTAATATACTTTTGGCCGCTGTACCAGTCAATATTGCTGCCCTTTTTGTTTTAAGAATTTTCCAAGCTTTCGCTTCCAGCTCTGTGATTTCTCTGGGAGCTGGCACTGTAACAGACGTTGTTCCTCCAAAACACAGGGGAAAGGCCATAGCGTATTTCATGATGGGTCCAAACATGGGTCCTATTATAGCACCCATTGTTGCTGGGCTTATTTTAATGAAAGGAAATTACTGGAGATGGCTTTTTGGTTTCACTTCTATCATGACAGGAATAGCATTGATCTTGGTTACTGCTTTACTTCCAGAAACGCTACGTTGTATAGTTGGTAATGGAGACCCTAAATGGGGTGACAAAAAAGATGAACGTGAAAATAACGAATCTCCATTCTTCGAAGGTAATAAAATATCACATCGGCGTCTGTTCCCAGACATTGGTATCCGTAAACCAGTCAATAATGATGCTTTCTTCCAAGAAAATTTTCCAAAGCCGCCTAAAGCAGGTTTGACACTATATTGGAAAATGATTAAATGTCCTCCAATAATAATCACGTCCGTCAGTACTGCACTCCTGTTCTCCAGTTACTATGCGTTCAGCGTCACGTTTTCGTATTACCTTGAACATGACTACCGTTTTACTATGTTAGAAATTGGTGCTGCTTATGTCTGCCCAGGTGTAGCTATGTTACTAGGATCTCAATCTGGTGGGCACCTCTCAGATTATCTTCGTTCACGCTGGATCAAAAGTCATCCTAAAAAGAAATTCCCGGCAGAGTTTCGTTTATTACTGAACCTAATTGGAATTTTACTAACAATATGTGGCACAATAGGATACGGATGGGCAATCTTCTTTCATTATCATTTTGTGGTTCTTTTAGTTTTTTCCGCTCTCACTGCCTTTGGTATGACCTGGTGCAGCAACACATCAATGACATATTTAACTGAGTTATTCCCCAAAAGAGCTGCTGGAACTGTTGCTGTTAGTAGTTTCTTTCGAAATGTGGGCGCTGCCATTAGTTCCGCTATCATTTTACAGCTCTGTAACGCAATGGGAATTGGATGGTGTTTTACAGGGCTCGGTCTCTGCAGTTCAATTTCATTGATTGGTATATTATATCTTCTCATTTTTCAAAGAAAATATACTGCCAAAGAATTTTAA","protein_sequence":"MGSEPFQKKNLGLQINSQESGTTRSTFHSLEDLGDDVINESWDQVNQKRANIDHDVFHEHPDSSPSLSAQKAKTKEEEVAVKSSNSQSRDPSPDTQAHIPYTYFSKDQRLIIFGIIIFIGFLGPMSGNIYIPALPLLQREYDVSATTINATVSVFMAVFSVGPLFWGALADFGGRKFLYMVSLSLMLIVNILLAAVPVNIAALFVLRIFQAFASSSVISLGAGTVTDVVPPKHRGKAIAYFMMGPNMGPIIAPIVAGLILMKGNYWRWLFGFTSIMTGIALILVTALLPETLRCIVGNGDPKWGDKKDERENNESPFFEGNKISHRRLFPDIGIRKPVNNDAFFQENFPKPPKAGLTLYWKMIKCPPIIITSVSTALLFSSYYAFSVTFSYYLEHDYRFTMLEIGAAYVCPGVAMLLGSQSGGHLSDYLRSRWIKSHPKKKFPAEFRLLLNLIGILLTICGTIGYGWAIFFHYHFVVLLVFSALTAFGMTWCSNTSMTYLTELFPKRAAGTVAVSSFFRNVGAAISSAIILQLCNAMGIGWCFTGLGLCSSISLIGILYLLIFQRKYTAKEF"}]}