{"ymdb_id":"YMDB00728","created_at":"2011-05-29T18:47:09.000Z","updated_at":"2016-09-08T18:35:49.000Z","name":"(5S,6S)-di-HETE","cas":null,"state":null,"melting_point":null,"description":"(5S,6S)-di-HETE (5,6-dihydroxy-7,9,11,14-eicosatetraenoic acid) is a leukotriene. Leukotrienes are fatty signaling molecules. Leukotrienes are synthesized in the cell from arachidonic acid. The catalytic mechanism involves the insertion of an oxygen moiety at a specific position in the arachidonic acid backbone. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"nucleus;cytoplasm","synthesis_reference":null,"chebi_id":"53026","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"23255694","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(5S,6S,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid","traditional_iupac":"5S,6S-DiHETE","logp":"4.281456137","pka":"13.658865051914685","alogps_solubility":"1.23e-02 g/l","alogps_logp":"5.33","alogps_logs":"-4.44","acceptor_count":"4","donor_count":"3","rotatable_bond_count":"14","polar_surface_area":"77.76","refractivity":"102.831","polarizability":"39.868888619001105","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.170315174086337","pka_strongest_acidic":"4.475339032311273","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(5S,6S,7E,9E,11Z,14Z)-5,6-dihydroxyeicosa-7,9,11,14-tetraenoic acid","15-epi-LXA(,4)","5(S),6(R),15(R)-trihydroxy-7E,9E,11Z,13E-eicosatetraenoate","5S,6S-DiHETE","5S,6S-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid","threo-(5S,6S)-dihydroxy-7,9-trans-11,14-cis-eicosatetraenoic acid"],"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":18407956,"citation":"Albuquerque, C. P., Smolka, M. B., Payne, S. H., Bafna, V., Eng, J., Zhou, H. (2008). \"A multidimensional chromatography technology for in-depth phosphoproteome analysis.\" Mol Cell Proteomics 7:1389-1396."},{"pubmed_id":14562095,"citation":"Huh, W. K., Falvo, J. V., Gerke, L. C., Carroll, A. S., Howson, R. W., Weissman, J. S., O'Shea, E. K. (2003). \"Global analysis of protein localization in budding yeast.\" Nature 425:686-691."}],"proteins":[{"created_at":"2011-05-27T05:42:17.000Z","updated_at":"2011-05-27T05:42:17.000Z","name":"Leukotriene A-4 hydrolase","uniprot_id":"Q10740","uniprot_name":"LKHA4_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":671,"molecular_weight":"77352.10156","theoretical_pi":"6.55","general_function":"Involved in binding","specific_function":"Hydrolyzes an epoxide moiety of LTA(4) to form LTB(4). The enzyme also has aminopeptidase activity","reactions":[{"id":1714,"direction":"\u003c\u003e","locations":"cytoplasm;nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1715,"direction":"\u003c\u003e","locations":"cytoplasm;nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1716,"direction":"\u003c\u003e","locations":"cytoplasm;nucleus","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2780,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"(7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate + H(2)O = (6Z,8E,10E,14Z)-(5S,12R)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":"X94547","genbank_protein_id":"1149543","gene_card_id":null,"chromosome_location":null,"locus":"YNL045W","synonyms":["LTA-4 hydrolase","Leukotriene A(4) hydrolase"],"enzyme_classes":["3.3.2.6"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity, acting on ether bonds"},{"category":"Function","description":" peptidase activity"},{"category":"Function","description":" peptidase activity, acting on L-amino acid peptides"},{"category":"Function","description":" binding"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" metallopeptidase activity"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" ether hydrolase activity"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" leukotriene-A4 hydrolase activity"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" zinc ion binding"},{"category":"Function","description":" hydrolase activity"},{"category":"Process","description":" monocarboxylic acid metabolic process"},{"category":"Process","description":" fatty acid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" macromolecule metabolic process"},{"category":"Process","description":" protein metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" proteolysis"},{"category":"Process","description":" unsaturated fatty acid metabolic process"},{"category":"Process","description":" icosanoid metabolic process"},{"category":"Process","description":" leukotriene metabolic process"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" leukotriene biosynthetic process"},{"category":"Process","description":" oxoacid metabolic process"},{"category":"Process","description":" carboxylic acid metabolic process"}],"pfams":[{"name":"Leuk-A4-hydro_C","identifier":"PF09127"},{"name":"Peptidase_M1","identifier":"PF01433"}],"pathways":[{"name":"Arachidonic acid metabolism","kegg_map_id":"00590"}],"gene_sequence":"ATGTTCTTGCTTCCATTTGTCATTCGTCATTCCAGCTCTATTTACCTGCCCACGCTTCGATTTCGAGGTTTACTTACTGTAATCTCAAGAAACATACACATTTCCACCCCTCATAAAATGTTGCCTCTTTCAATTGAGCAGAGAAGACCTTCCCGCTCCCCCGAATACGATCAGTCTACTTTATCAAATTATAAGGACTTCGCAGTTCTTCACACCGATTTAAACCTGTCTGTTTCCTTCGAAAAGTCAGCCATTTCAGGGAGCGTTACATTCCAATTGAAAAAACTGCACGAAGGTAAAAATAAATCGGATGAATTACATCTGGATACATCCTATTTGGATGTCCAGGAGGTTCATATTGATGGTTCCAAGGCAGATTTTCAAATTGAGCAAAGAAAGGAGCCATTGGGCTCCAGGTTAGTCATCAATAACGCTTCTTGCAACGATAACTTTACCTTGAATATTCAATTTCGTACGACTGACAAGTGCACCGCTTTGCAATGGTTGAACAGCAAGCAAACCAAGGGCGGTAAACCGTACGTGTTTTCACAGTTGGAAGCTATTCATGCGAGGTCTTTGTTCCCCTGCTTTGATACTCCCTCTGTGAAGTCTACTTTCACTGCATCTATCGAGTCCCCACTACCAGTGGTTTTTTCAGGCATCAGGATTGAAGATACAAGCAAGGATACTAATATTTACAGATTTGAACAGAAAGTCCCTATCCCAGCCTACCTGATCGGTATTGCTTCCGGTGATTTGTCAAGCGCTCCAATTGGACCTCGTTCCACAGTTTACACTGAACCATTTCGTTTGAAAGATTGTCAATGGGAATTTGAAAACGATGTAGAGAAATTCATTCAAACTGCAGAGAAAATTATCTTTGAATACGAGTGGGGCACTTATGATATCTTAGTTAACGTCGATTCGTACCCTTACGGCGGTATGGAGTCTCCGAATATGACTTTTGCTACGCCCACCTTGATTGCACATGACAGATCCAACATTGATGTCATCGCCCATGAACTTGCTCACTCATGGTCTGGTAACTTAGTGACCAATTGTTCGTGGAATCATTTTTGGTTGAATGAAGGTTGGACCGTTTACTTAGAAAGAAGAATTATTGGTGCCATTCATGGCGAACCAACTAGACATTTCAGTGCTCTGATTGGTTGGAGCGATTTGCAGAATTCTATTGATTCTATGAAAGATCCTGAAAGATTTTCCACTTTGGTACAAAACTTGAACGATAACACTGACCCTGACGATGCCTTTTCCACTGTTCCGTACGAAAAGGGGTTCAACTTACTATTTCACTTGGAAACTATTTTGGGTGGTAAGGCTGAATTTGATCCATTTATTAGACACTATTTCAAGAAGTTTGCCAAAAAATCATTGGATACTTTCCAGTTTTTGGATACTTTGTATGAGTTCTATCCCGAAAAGAAAGAAATTTTGGATTCCGTTGACTGGGAAACTTGGCTGTATAAACCAGGTATGCCACCAAGGCCTCATTTTATTACGGCTTTGGCTGATAATGTTTATCAATTGGCTGACAAGTGGGTCGAAATGGCTCAACATTTGAAAACCACAGAGGATTTCCGGTCTGAATTTAACGCTATTGACATTAAGGATTTTAATTCAAATCAATTGGTTTTGTTCTTGGAAACTTTGACACAAAATGGCCATTCCAACAAGAAACCAAAAGATTTTGACTGGGCCAAGTTTCCCGTGGCATCTAGGGCACTGTTAGATATCTATCAAGATAACATTGTTAAATCACAGAACGCGGAAGTTGTTTTCAAGATGTTCAAATTTCAGATCTTTGCCAAGCTGCAAGAAGAATATAAGCATTTGGCCGATTGGTTGGGAACTGTAGGTAGAATGAAGTTTGTCCGTCCCGGTTACAGACTATTAAACTCTGTAGACCGTCGATTGGCACTTGCAACTTTCGACAAATTCAAGGACACGTATCATCCAATCTGTAAAGCTCTTGTGAAACAAGATTTAGGTCTTTGA","protein_sequence":"MFLLPFVIRHSSSIYLPTLRFRGLLTVISRNIHISTPHKMLPLSIEQRRPSRSPEYDQSTLSNYKDFAVLHTDLNLSVSFEKSAISGSVTFQLKKLHEGKNKSDELHLDTSYLDVQEVHIDGSKADFQIEQRKEPLGSRLVINNASCNDNFTLNIQFRTTDKCTALQWLNSKQTKGGKPYVFSQLEAIHARSLFPCFDTPSVKSTFTASIESPLPVVFSGIRIEDTSKDTNIYRFEQKVPIPAYLIGIASGDLSSAPIGPRSTVYTEPFRLKDCQWEFENDVEKFIQTAEKIIFEYEWGTYDILVNVDSYPYGGMESPNMTFATPTLIAHDRSNIDVIAHELAHSWSGNLVTNCSWNHFWLNEGWTVYLERRIIGAIHGEPTRHFSALIGWSDLQNSIDSMKDPERFSTLVQNLNDNTDPDDAFSTVPYEKGFNLLFHLETILGGKAEFDPFIRHYFKKFAKKSLDTFQFLDTLYEFYPEKKEILDSVDWETWLYKPGMPPRPHFITALADNVYQLADKWVEMAQHLKTTEDFRSEFNAIDIKDFNSNQLVLFLETLTQNGHSNKKPKDFDWAKFPVASRALLDIYQDNIVKSQNAEVVFKMFKFQIFAKLQEEYKHLADWLGTVGRMKFVRPGYRLLNSVDRRLALATFDKFKDTYHPICKALVKQDLGL"}]}