{"ymdb_id":"YMDB00239","created_at":"2011-05-29T16:10:27.000Z","updated_at":"2016-09-12T20:54:19.000Z","name":"lipoyl-AMP","cas":null,"state":"Solid","melting_point":null,"description":"Lipoyl-AMP is an intermediate in lipoate salvage and modification pathway. [Biocyc PWY0-522]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"55451","hmdb_id":null,"kegg_id":"C16238","pubchem_id":"23724672","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":"LIPOYL-AMP","iupac":"{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[5-(1,2-dithiolan-3-yl)pentanoyl]oxy})phosphinic acid","traditional_iupac":"Lipoyl-AMP","logp":"-2.322057993323983","pka":"12.457192389903962","alogps_solubility":"1.12e+00 g/l","alogps_logp":"0.25","alogps_logs":"-2.68","acceptor_count":"10","donor_count":"4","rotatable_bond_count":"11","polar_surface_area":"192.13999999999996","refractivity":"124.9477","polarizability":"50.70841164834475","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"4.988470657284801","pka_strongest_acidic":"0.8302712598949102","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["Lipoyl-AMP"],"pathways":[{"name":"Lipoic acid metabolism","kegg_map_id":"00785"}],"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":"2011-05-29T04:40:13.000Z","updated_at":"2011-05-29T05:06:53.000Z","name":"Putative lipoate-protein ligase A","uniprot_id":"P47051","uniprot_name":"LPLA_YEAST","enzyme":true,"transporter":false,"gene_name":"AIM22","num_residues":409,"molecular_weight":"47003.0","theoretical_pi":"7.52","general_function":"Involved in catalytic activity","specific_function":"Catalyzes both the ATP-dependent activation of exogenously supplied lipoate to lipoyl-AMP and the transfer of the activated lipoyl onto the lipoyl domains of lipoate-dependent enzymes","reactions":[{"id":2846,"direction":"\u003e","locations":null,"altext":"ATP + lipoate = diphosphate + lipoyl-AMP.","export":false,"pw_reaction_id":null,"source":null},{"id":2847,"direction":"\u003e","locations":null,"altext":"Lipoyl-AMP + protein = protein N(6)-(lipoyl)lysine + AMP.","export":false,"pw_reaction_id":null,"source":null},{"id":14862,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007050","source":"Smpdb"},{"id":14863,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R007051","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":"AIM22","chromosome_location":"chromosome 10","locus":"YJL046W","synonyms":["Altered inheritance rate of mitochondria protein 22"],"enzyme_classes":["2.7.7.63"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" macromolecule metabolic process"},{"category":"Process","description":" macromolecule modification"},{"category":"Process","description":" protein modification process"},{"category":"Process","description":" post-translational protein modification"},{"category":"Process","description":" protein-cofactor linkage"},{"category":"Process","description":" protein lipoylation"}],"pfams":[{"name":"BPL_LipA_LipB","identifier":"PF03099"}],"pathways":[{"name":"Lipoic acid metabolism","kegg_map_id":"00785"}],"gene_sequence":"ATGTCTATGATGCTAAGTAATTGGGCACTCTCCCCTCGATATGTGGGACAGCGAAACCTCATACATTGCACCACTTTATTTCACACACTTACACGATGGGCAAAAGACGCAGACGATAAATATCATGATATAAACTCAATGTATGAAAACATGTTTACACCTTCAAATGATAACGTTTCAATTTTGCAGGATGAAGGTAAATCTGATTATGATACGACGAAGGCCAGCTCTATGGAAGAAGATATCAGTGCTTTTAATAAAGACTTGTACAATTTCTATAATATTGGATATGCCAAACAGATCATGTCTGCTTCACAATTGGAAAATATAGTAAAGGCAAAGGGCAGATTTGTTATACAAAGTTTATCCACCAGTCCTTATTATAATTTGGCCCTTGAAAACTATGTTTTCAAGAATACACCAAGAGCCAAAAGAGGTCCCGATAATTGCAGACTGTTATTTTACATCAATGATAGGTGCGCCGTTATAGGCAAAAACCAAAATCTGTGGCAGGAAGTAGATCTTGCTAAGCTGAAGAGTAAGAATTTCGAACTACTTAGAAGATTTTCTGGAGGTGGCACTGTACTGCATGATTTGGGCAATGTTAATTATTCATATTTAACATCAAGGGAGAAATTCGAAACAAAGTTTTTCAACAAAATGATAATTAAGTGGTTAAATTCATTGAATCCCGAACTAAGACTAGATTTGAATGAGAGAGGAGATATTATTCAGGACGGGTTTAAAATTAGTGGCAGTGCTTATAAAATTGCCGGTGGCAAAGCATACCATCATGCAACGATGTTGCTTAATGCGGATTTAGAACAGTTTAGCGGCTTATTAGAACCCTCACTACCGAACAATATGGAATGGGAGTCAAGTGGAGTTCATAGTGTAAAATCAAAAATCAAAAATGTTGGTATAATTACTCCTAATCAGTTCATTGCAGTGGTATCCGAGCGTTTTCAGAAAACATTCAAAGTTGACGGCGAAATACCTATATATTACTGTGACGAGTTTAAATCTATAAACGATGAGATTAAAGATGCTATGAACACCTTACAGAGCGAACAATGGAAATATTTCTCGGGGCCTAAATTTTCAGTGAAGATTAAAGATAAAGGCTTAACAATTAAAGTCGAAAAGGGCATGATTTATGATTGTGATAGAAATGATTTAATCGGCTTGGAATTCAAAGGATTTTTGGAGAATATTGACAGTTACACATAA","protein_sequence":"MSMMLSNWALSPRYVGQRNLIHCTTLFHTLTRWAKDADDKYHDINSMYENMFTPSNDNVSILQDEGKSDYDTTKASSMEEDISAFNKDLYNFYNIGYAKQIMSASQLENIVKAKGRFVIQSLSTSPYYNLALENYVFKNTPRAKRGPDNCRLLFYINDRCAVIGKNQNLWQEVDLAKLKSKNFELLRRFSGGGTVLHDLGNVNYSYLTSREKFETKFFNKMIIKWLNSLNPELRLDLNERGDIIQDGFKISGSAYKIAGGKAYHHATMLLNADLEQFSGLLEPSLPNNMEWESSGVHSVKSKIKNVGIITPNQFIAVVSERFQKTFKVDGEIPIYYCDEFKSINDEIKDAMNTLQSEQWKYFSGPKFSVKIKDKGLTIKVEKGMIYDCDRNDLIGLEFKGFLENIDSYT"}]}