{"ymdb_id":"YMDB00248","created_at":"2011-05-29T17:58:23.000Z","updated_at":"2016-09-08T18:35:14.000Z","name":"4-Nitrophenyl phosphate","cas":"330-13-2","state":null,"melting_point":null,"description":"4-Nitrophenylphosphate is converted to 4-nitrophenol, an aromatic compound, by the enzyme p-nitrophenylphosphatase [3.1.3.41]. [Biocyc 4-NITROPHENYLPHOSPHATASE-RXN]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"17440","hmdb_id":null,"kegg_id":"C03360","pubchem_id":"378","cs_id":"369","foodb_id":null,"wikipedia_link":"Para-Nitrophenylphosphate","biocyc_id":null,"iupac":"(4-nitrophenoxy)phosphonic acid","traditional_iupac":"4-nitrophenyl phosphate","logp":"0.9557995379999997","pka":"6.732966687481505","alogps_solubility":"1.03e+00 g/l","alogps_logp":"0.50","alogps_logs":"-2.33","acceptor_count":"5","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"109.9","refractivity":"45.23230000000001","polarizability":"16.61297419464198","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-9.694907407591746","pka_strongest_acidic":"1.7670475440101345","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-Nitrophenyl dihydrogen phosphate","4-Nitrophenyl phosphate","nitrophenylphosphate","p-nitrophenyl dihydrogen phosphate","p-nitrophenyl phosphate","Phenol, p-nitro-, dihydrogen phosphate","phosphoric acid, mono(4-nitrophenyl) ester","phosphoric acid, mono(p-nitrophenyl) ester"],"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":"2011-05-27T05:32:36.000Z","updated_at":"2011-05-27T15:01:24.000Z","name":"4-nitrophenylphosphatase","uniprot_id":"P19881","uniprot_name":"PNPP_YEAST","enzyme":true,"transporter":false,"gene_name":"PHO13","num_residues":312,"molecular_weight":"34624.30078","theoretical_pi":"6.29","general_function":"Involved in catalytic activity","specific_function":"PHO13 is dispensable for vegetative growth and sporulation","reactions":[{"id":2776,"direction":"\u003e","locations":"Cytoplasmic","altext":"4-nitrophenyl phosphate + H(2)O = 4-nitrophenol + phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"X51611","genbank_protein_id":"5924022","gene_card_id":"PHO13","chromosome_location":"chromosome 4","locus":"YDL236W","synonyms":["PNPPase"],"enzyme_classes":["3.1.3.41"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" phosphatase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on ester bonds"},{"category":"Function","description":" phosphoric ester hydrolase activity"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Hydrolase","identifier":"PF00702"}],"pathways":[],"gene_sequence":"ATGACTGCTCAACAAGGTGTACCAATAAAGATAACCAATAAGGAGATTGCTCAAGAATTCTTGGACAAATATGACACGTTTCTGTTCGATTGTGATGGTGTATTATGGTTAGGTTCTCAAGCATTACCATACACCCTGGAAATTCTAGACCTTTTGAAGCAATTGGGCAAACAACTGATCTTCGTTACGAATAACTCTACCAAGTCCCGTTTAGCATACACGAAAAAGTTTGCTTCGTTTGGTATTGATGTCAAAGAAGAACAGATTTTCACCTCTGGTTATGCGCCAGCTGTTTATATTCGTGACTTTCTGAAATTGCAGCCTGGCAAAGATAAGGTATGGGTATTTGGAGAAAGCGGTATTGGTGAAGAATTGAAACTAATGGGGTACGAATCTCTAGGAGGTGCCGATTCCAGATTGGATACGCCGTTCGATGCAGCTAAATCACCATTTTTGGTGAACGGCCTTGATAAGGATGTTAGTTGTGTTATTGCTGGGTTAGACACGAAGGTAAATTACCACCGTTTGGCTGTTACACTGCAGTATTTGCAGAAGGATTCTGTTCACTTTGTTGGTACAAATGTTGATTCTACTTTCCCGCAAAAGGGTTATACATTTCCCGGTGCAGGCTCCATGATTGAATCATTGGCATTCTCATCTAATAGGAGGCCATCGTACTGTGGTAAGCCAAATCAAAATATGCTAAACAGCATTATATCGGCATTCAACCTGGATAGATCAAAGTGCTGTATGGTTGGTGACAGATTAAACACCGATATGAAATTCGGTGTTGAAGGTGGGTTAGGTGGCACACTACTCGTTTTGAGTGGTATTGAAACCGAAGAGAGAACCTTGAAGATTTCGCACGATTATCCAAGACCTAAATTTTACATTGATAAACTTGGTGACATCTACGCCTTAACCAATAATGAGTTATAG","protein_sequence":"MTAQQGVPIKITNKEIAQEFLDKYDTFLFDCDGVLWLGSQALPYTLEILNLLKQLGKQLIFVTNNSTKSRLAYTKKFASFGIDVKEEQIFTSGYASAVYIRDFLKLQPGKDKVWVFGESGIGEELKLMGYESLGGADSRLDTPFDAAKSPFLVNGLDKDVSCVIAGLDTKVNYHRLAVTLQYLQKDSVHFVGTNVDSTFPQKGYTFPGAGSMIESLAFSSNRRPSYCGKPNQNMLNSIISAFNLDRSKCCMVGDRLNTDMKFGVEGGLGGTLLVLSGIETEERALKISHDYPRPKFYIDKLGDIYTLTNNEL"}]}