{"ymdb_id":"YMDB00166","created_at":"2011-05-29T16:03:13.000Z","updated_at":"2016-09-08T18:35:07.000Z","name":"(3S)-3-hydroxy-L-aspartic acid","cas":"7298-99-9","state":null,"melting_point":null,"description":"3-Hydroxyaspartate is not found in normal proteins, it is found in cinnamycin, a 19-amino acid peptide with anti-tumor and anti-microbial activities that is produced by Streptomyces strains. (3S)-3-Hydroxy-L-aspartic acid (threo-3-hydroxyaspartate) is converted to oxaloacetate and ammonia by a 3-hydroxyaspartate dehydratase (SRY1p) in yeast. The role of this enzyme in yeast would be detoxification of naturally occuring 3-hydroxyaspartate. [PMID: 12951240]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"10696","hmdb_id":null,"kegg_id":"C11511","pubchem_id":"191652","cs_id":"391503","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,3S)-2-amino-3-hydroxybutanedioic acid","traditional_iupac":"3-hydroxyaspartic acid","logp":"-4.423453042360231","pka":"3.364745502137772","alogps_solubility":"1.11e+02 g/l","alogps_logp":"-3.43","alogps_logs":"-0.13","acceptor_count":"6","donor_count":"4","rotatable_bond_count":"3","polar_surface_area":"120.85000000000002","refractivity":"27.870900000000002","polarizability":"12.101034813920721","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"9.076730403683923","pka_strongest_acidic":"2.570691986541146","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["L-threo-3-Hydroxyaspartate","threo-3-Hydroxy-L-aspartate"],"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":"2011-05-26T18:13:58.000Z","updated_at":"2011-05-27T15:01:03.000Z","name":"Threo-3-hydroxyaspartate ammonia-lyase","uniprot_id":"P36007","uniprot_name":"SRY1_YEAST","enzyme":true,"transporter":false,"gene_name":"SRY1","num_residues":326,"molecular_weight":"34898.69922","theoretical_pi":"7.19","general_function":"Involved in catalytic activity","specific_function":"Exhibits dehydratase activity specific for L-threo-3- hydroxyaspartate","reactions":[{"id":2517,"direction":"\u003e","locations":null,"altext":"Threo-3-hydroxy-L-aspartate = oxaloacetate + NH(3).","export":false,"pw_reaction_id":null,"source":null},{"id":14292,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006769","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"X75951","genbank_protein_id":"473132","gene_card_id":"SRY1","chromosome_location":"chromosome 11","locus":"YKL218C","synonyms":["L-threo-3-hydroxyaspartate dehydratase"],"enzyme_classes":["4.3.1.16"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" cofactor binding"},{"category":"Function","description":" pyridoxal phosphate binding"},{"category":"Function","description":" catalytic activity"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"}],"pfams":[{"name":"PALP","identifier":"PF00291"}],"pathways":[{"name":"isoleucine biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGATTGTTCCCACTTATGGAGACGTTTTGGATGCCAGCAACAGAATTAAAGAATATGTAAATAAAACACCGGTTCTCACTTCACGAATGCTTAATGATCGACTTGGAGCACAAATATACTTTAAAGGTGAGAATTTCCAACGAGTGGGAGCGTTCAAGTTTCGTGGAGCAATGAATGCTGTTTCAAAATTAAGTGATGAAAAAAGAAGTAAGGGAGTAATTGCCTTCTCATCAGGAAACCATGCACAGGCTATTGCTCTTAGTGCAAAACTATTAAATGTACCTGCAACAATTGTTATGCCCGAGGATGCGCCCGCCCTTAAAGTTGCTGCTACAGCCGGTTACGGAGCACATATCATAAGGTATAACAGGTATACTGAAGATCGCGAGCAGATTGGGCGTCAACTAGCAGCCGAACATGGTTTTGCATTGATTCCGCCCTACGATCATCCTGATGTTATTGCAGGGCAAGGTACGTCGGCAAAAGAGCTATTAGAAGAGGTTGGACAACTTGATGCATTATTTGTTCCTTTGGGCGGTGGTGGGCTCCTTTCAGGATCTGCACTTGCCGCTAGAAGCCTTTCTCCAGGCTGCAAAATTTTTGGGGTTGAACCTGAAGCTGGTAACGATGGACAACAATCCTTCAGATCGGGTTCCATTGTTCATATCAATACGCCAAAAACTATCGCAGATGGCGCTCAAACACAACACCTCGGTGAGTACACATTTGCCATTATTCGCGAAAATGTCGATGATATTTTAACGGTTAGCGACCAAGAGCTAGTAAAATGCATGCACTTTCTTGCGGAACGCATGAAGGTGGTTGTTGAGCCCACAGCTTGTTTGGGATTTGCAGGTGCACTTCTAAAAAAGGAAGAGCTAGTTGGGAAGAAAGTAGGCATAATACTAAGTGGAGGTAATGTAGACATGAAGAGATATGCTACTTTAATCTCTGGGAAGGAAGATGGCCCAACGATTTAG","protein_sequence":"MIVPTYGDVLDASNRIKEYVNKTPVLTSRMLNDRLGAQIYFKGENFQRVGAFKFRGAMNAVSKLSDEKRSKGVIAFSSGNHAQAIALSAKLLNVPATIVMPEDAPALKVAATAGYGAHIIRYNRYTEDREQIGRQLAAEHGFALIPPYDHPDVIAGQGTSAKELLEEVGQLDALFVPLGGGGLLSGSALAARSLSPGCKIFGVEPEAGNDGQQSFRSGSIVHINTPKTIADGAQTQHLGEYTFAIIRENVDDILTVSDQELVKCMHFLAERMKVVVEPTACLGFAGALLKKEELVGKKVGIILSGGNVDMKRYATLISGKEDGPTI"}]}