{"ymdb_id":"YMDB00180","created_at":"2011-05-29T16:04:25.000Z","updated_at":"2016-09-08T18:35:09.000Z","name":"Obtusifoliol","cas":"16910-32-0","state":"Solid","melting_point":"","description":"Obtusifoliol is an intermediate in the biosynthesis of cholesterol, in a reaction catalyzed by the CYP51A1 [EC 1.14.13.70].","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"Cytoplasm, Plasma Membrane","synthesis_reference":null,"chebi_id":"17791","hmdb_id":"HMDB01242","kegg_id":"C01943","pubchem_id":"656449","cs_id":"570838","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-4568","iupac":"11-(hydroxymethyl)-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol","traditional_iupac":"11-(hydroxymethyl)-2,6,6,15-tetramethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol","logp":"6.425901364333334","pka":"19.553786825956404","alogps_solubility":"1.83e-03 g/l","alogps_logp":"6.54","alogps_logs":"-5.38","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"5","polar_surface_area":"40.46","refractivity":"136.3194","polarizability":"55.97039838129607","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-0.5331720632377376","pka_strongest_acidic":"19.42512014654234","bioavailability":"1","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4,4-Dimethyl-14a-hydroxymethyl-5a-cholesta-8,24-dien-3b-ol","4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol"],"pathways":[{"name":"Steroid biosynthesis","kegg_map_id":"00100"}],"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":"2011-05-24T20:03:33.000Z","updated_at":"2011-05-27T14:55:59.000Z","name":"Lanosterol 14-alpha demethylase","uniprot_id":"P10614","uniprot_name":"CP51_YEAST","enzyme":true,"transporter":false,"gene_name":"ERG11","num_residues":530,"molecular_weight":"60719.80078","theoretical_pi":"8.95","general_function":"Involved in iron ion binding","specific_function":"Catalyzes C14-demethylation of lanosterol which is critical for ergosterol biosynthesis. It transforms lanosterol into 4,4'-dimethyl cholesta-8,14,24-triene-3-beta-ol","reactions":[{"id":2295,"direction":"\u003e","locations":"Membrane; Single-pass membrane protein","altext":"Obtusifoliol + 3 O(2) + 3 NADPH = 4-alpha-methyl-5-alpha-ergosta-8,14,24(28)-trien-3-beta-ol + formate + 3 NADP(+) + 4 H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":14387,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006897","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"21-41","pdb_id":null,"cellular_location":"Membrane; Single-pass membrane protein","genbank_gene_id":"M18109","genbank_protein_id":"170946","gene_card_id":"ERG11","chromosome_location":"chromosome 8","locus":"YHR007C","synonyms":["CYPLI","Cytochrome P450 51","Cytochrome P450-14DM","Cytochrome P450-LIA1","Sterol 14-alpha demethylase"],"enzyme_classes":["1.14.13.70"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" heme binding"},{"category":"Function","description":" electron carrier activity"},{"category":"Function","description":" monooxygenase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" 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":" Not Available"}],"pfams":[{"name":"p450","identifier":"PF00067"}],"pathways":[{"name":"Steroid biosynthesis","kegg_map_id":"00100"},{"name":"Cholesterol biosynthesis and metabolism CE(10:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(12:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(14:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(16:0)","kegg_map_id":null},{"name":"Cholesterol biosynthesis and metabolism CE(18:0)","kegg_map_id":null}],"gene_sequence":"ATGTCTGCTACCAAGTCAATCGTTGGAGAGGCATTGGAATACGTAAACATTGGTTTAAGTCATTTCTTGGCTTTACCATTGGCCCAAAGAATCTCTTTGATCATAATAATTCCTTTCATTTACAATATTGTATGGCAATTACTATATTCTTTGAGAAAGGACCGTCCACCTCTAGTGTTTTACTGGATTCCATGGGTCGGTAGTGCTGTTGTGTACGGTATGAAGCCATACGAGTTTTTCGAAGAATGTCAAAAGAAATACGGTGATATTTTTTCATTCGTTTTGTTAGGAAGAGTCATGACTGTGTATTTAGGACCAAAGGGTCACGAATTTGTCTTCAACGCTAAGTTGGCAGATGTTTCAGCAGAAGCTGCTTACGCTCATTTGACTACTCCAGTTTTCGGTAAAGGTGTTATTTACGATTGTCCAAATTCTAGATTGATGGAGCAAAAGAAGTTTGTTAAGGGTGCTCTAACCAAAGAAGCCTTCAAGAGCTACGTTCCATTGATTGCTGAAGAAGTGTACAAGTACTTCAGAGACTCCAAAAACTTCCGTTTGAATGAAAGAACTACTGGTACTATTGACGTGATGGTTACTCAACCTGAAATGACTATTTTCACCGCTTCAAGATCATTATTGGGTAAGGAAATGAGAGCAAAATTGGATACCGATTTTGCTTACTTGTACAGTGATTTGGATAAGGGTTTCACTCCAATCAACTTCGTCTTCCCTAACTTACCATTGGAACACTATAGAAAGAGAGATCACGCTCAAAAGGCTATCTCCGGTACTTACATGTCTTTGATTAAGGAAAGAAGAAAGAACAACGACATTCAAGACAGAGATTTGATCGATTCCTTGATGAAGAACTCTACCTACAAGGATGGTGTGAAGATGACTGATCAAGAAATCGCTAACTTGTTAATTGGTGTCTTAATGGGTGGTCAACATACTTCTGCTGCCACTTCTGCTTGGATTTTGTTGCACTTGGCTGAAAGACCAGATGTCCAACAAGAATTGTACGAAGAACAAATGCGTGTTTTGGATGGTGGTAAGAAGGAATTGACCTACGATTTATTACAAGAAATGCCATTGTTGAACCAAACTATTAAGGAAACTCTAAGAATGCACCATCCATTGCACTCTTTGTTCCGTAAGGTTATGAAAGATATGCACGTTCCAAACACTTCTTATGTCATCCCAGCAGGTTATCACGTTTTGGTTTCTCCAGGTTACACTCATTTAAGAGACGAATACTTCCCTAATGCTCACCAATTCAACATTCACCGTTGGAACAAAGATTCTGCCTCCTCTTATTCCGTCGGTGAAGAAGTCGATTACGGTTTCGGTGCCATTTCTAAGGGTGTCAGCTCTCCATACTTACCTTTCGGTGGTGGTAGACACAGATGTATCGGTGAACACTTTGCTTACTGTCAGCTAGGTGTTCTAATGTCCATTTTTATCAGAACATTAAAATGGCATTACCCAGAGGGTAAGACCGTTCCACCTCCTGACTTTACATCTATGGTTACTCTTCCAACCGGTCCAGCCAAGATCATCTGGGAAAAGAGAAATCCAGAACAAAAGATCTAA","protein_sequence":"MSATKSIVGEALEYVNIGLSHFLALPLAQRISLIIIIPFIYNIVWQLLYSLRKDRPPLVFYWIPWVGSAVVYGMKPYEFFEECQKKYGDIFSFVLLGRVMTVYLGPKGHEFVFNAKLADVSAEAAYAHLTTPVFGKGVIYDCPNSRLMEQKKFVKGALTKEAFKSYVPLIAEEVYKYFRDSKNFRLNERTTGTIDVMVTQPEMTIFTASRSLLGKEMRAKLDTDFAYLYSDLDKGFTPINFVFPNLPLEHYRKRDHAQKAISGTYMSLIKERRKNNDIQDRDLIDSLMKNSTYKDGVKMTDQEIANLLIGVLMGGQHTSAATSAWILLHLAERPDVQQELYEEQMRVLDGGKKELTYDLLQEMPLLNQTIKETLRMHHPLHSLFRKVMKDMHVPNTSYVIPAGYHVLVSPGYTHLRDEYFPNAHQFNIHRWNKDSASSYSVGEEVDYGFGAISKGVSSPYLPFGGGRHRCIGEHFAYCQLGVLMSIFIRTLKWHYPEGKTVPPPDFTSMVTLPTGPAKIIWEKRNPEQKI"}]}