{"ymdb_id":"YMDB00029","created_at":"2011-05-29T15:49:58.000Z","updated_at":"2016-09-08T18:34:55.000Z","name":"ADP-D-ribose 1''-phosphate","cas":null,"state":null,"melting_point":null,"description":"ADP-D-ribose 1''-phosphate is an intermediate in tRNA splicing pathway. [Biocyc PWY-6689]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"48584","hmdb_id":null,"kegg_id":null,"pubchem_id":"45266755","cs_id":"23106975","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]oxy}phosphonic acid","traditional_iupac":"adp-ribose 1''-phosphate","logp":"-7.433116159354702","pka":"1.8639078524049504","alogps_solubility":"6.13e+00 g/l","alogps_logp":"-1.39","alogps_logs":"-2.02","acceptor_count":"17","donor_count":"9","rotatable_bond_count":"11","polar_surface_area":"338.04999999999995","refractivity":"121.99619999999997","polarizability":"51.78909139918233","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.97195109117355","pka_strongest_acidic":"1.0789773904840052","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["ADP-ribose 1''-phosphate","ADP-Ribose 1''-phosphoric acid","Appr1p"],"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":"2011-05-24T20:45:21.000Z","updated_at":"2011-05-27T14:56:01.000Z","name":"ADP-ribose 1''-phosphate phosphatase","uniprot_id":"P38218","uniprot_name":"POA1_YEAST","enzyme":true,"transporter":false,"gene_name":"POA1","num_residues":177,"molecular_weight":"19937.59961","theoretical_pi":"7.77","general_function":"Involved in phosphatase activity","specific_function":"Highly specific phosphatase involved in the metabolism of ADP-ribose 1''-phosphate (Appr1p) which is produced as a consequence of tRNA splicing","reactions":[{"id":2341,"direction":"\u003e","locations":"","altext":"ADP-ribose 1''-phosphate + H(2)O = ADP-ribose + phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY557705","genbank_protein_id":"45269301","gene_card_id":"POA1","chromosome_location":"chromosome 2","locus":"YBR022W","synonyms":[],"enzyme_classes":[],"go_classes":[],"pfams":[{"name":"Macro","identifier":"PF01661"}],"pathways":[],"gene_sequence":"ATGTCGAACATCACTTATGTCAAAGGTAACATCTTAAAACCAAAGTCATATGCTAGGATCCTCATCCATTCTTGCAACTGCAATGGCTCGTGGGGTGGTGGGATCGCTTATCAACTTGCTTTGCGCTACCCAAAAGCAGAGAAAGATTACGTTGAAGTATGCGAAAAGTATGGTTCTAATTTACTAGGCAAATGCATATTACTTCCCAGTTACGAAAACTCAGATCTGCTGATTTGTTGCTTGTTTACATCATCATTTGGAGGTTCAAGTCATGGAGAAAAGCAAAGTATTTTGAATTATACAAAACTTGCTTTAGATAAATTGAAGACCTTTAGAGAAGCAAAAGACAAAACTCGAACAAGTGAAGATTCAATCGGTGACTATTTAAACGGCCACATCAAATACCCAATAGGGGAATATAAATTGGAAATGCCACAGATAAATAGTGGCATATTCGGAGTCCCTTGGAAAGAGACAGAACGCGTGTTAGAAGAATTTAGTGGCGACATGAGTTTTACAGTATATCAGCTGTAA","protein_sequence":"MSNITYVKGNILKPKSYARILIHSCNCNGSWGGGIAYQLALRYPKAEKDYVEVCEKYGSNLLGKCILLPSYENSDLLICCLFTSSFGGSSHGEKQSILNYTKLALDKLKTFREAKDKTRTSEDSIGDYLNGHIKYPIGEYKLEMPQINSGIFGVPWKETERVLEEFSGDMSFTVYQL"},{"created_at":"2011-05-24T20:45:44.000Z","updated_at":"2011-05-24T20:45:44.000Z","name":"Probable ADP-ribose 1''-phosphate phosphatase YML087W","uniprot_id":"Q04299","uniprot_name":"YMX7_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":284,"molecular_weight":"32067.0","theoretical_pi":"7.56","general_function":"Involved in phosphatase activity","specific_function":"Highly specific phosphatase involved in the metabolism of ADP-ribose 1''-phosphate (Appr1p) which is produced as a consequence of tRNA splicing","reactions":[{"id":2341,"direction":"\u003e","locations":"","altext":"ADP-ribose 1''-phosphate + H(2)O = ADP-ribose + phosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1TXZ","cellular_location":null,"genbank_gene_id":"AY558403","genbank_protein_id":"45270696","gene_card_id":null,"chromosome_location":null,"locus":"YMR087W","synonyms":[],"enzyme_classes":[],"go_classes":[],"pfams":[],"pathways":[],"gene_sequence":"ATGACAGGATCTTTAAACAGACACTCACTTTTGAACGGGGTAAAAAAAATGAGAATAATATTATGCGATACAAACGAAGTAGTTACCAATCTCTGGCAGGAATCTATACCCCATGCATATATTCAAAATGATAAGTATCTTTGTATTCATCATGGGCACCTTCAATCTCTTATGGATTCAATGCGTAAAGGTGATGCAATCCATCATGGCCACTCTTACGCAATTGTTTCACCTGGTAACTCGTATGGCTATCTTGGAGGAGGGTTCGATAAAGCTTTGTATAATTATTTCGGGGGAAAGCCCTTTGAAACATGGTTCAGGAATCAGCTTGGAGGAAGATATCACACGGTCGGATCTGCTACAGTGGTTGACCTACAGCGATGTCTTGAAGAGAAAACAATTGAATGTAGAGATGGTATTAGGTATATTATTCATGTTCCGACCGTTGTAGCCCCATCAGCTCCTATATTTAATCCGCAGAATCCCCTCAAGACAGGGTTTGAACCGGTTTTCAACGCCATGTGGAATGCCTTGATGCATTCTCCAAAAGACATTGATGGTCTTATTATTCCTGGATTATGTACTGGGTATGCAGGTGTACCACCCATTATCAGTTGCAAGAGTATGGCCTTTGCGTTAAGACTATATATGGCGGGAGATCACATAAGCAAAGAATTGAAAAATGTGCTGATCATGTATTATTTGCAATATCCGTTTGAACCTTTTTTCCCGGAAAGTTGCAAAATAGAGTGCCAAAAACTAGGAATAGATATCGAAATGCTGAAATCCTTTAATGTAGAAAAAGATGCAATAGAATTGCTCATTCCTAGAAGGATTTTGACCTTGGATTTATAA","protein_sequence":"MTGSLNRHSLLNGVKKMRIILCDTNEVVTNLWQESIPHAYIQNDKYLCIHHGHLQSLMDSMRKGDAIHHGHSYAIVSPGNSYGYLGGGFDKALYNYFGGKPFETWFRNQLGGRYHTVGSATVVDLQRCLEEKTIECRDGIRYIIHVPTVVAPSAPIFNPQNPLKTGFEPVFNAMWNALMHSPKDIDGLIIPGLCTGYAGVPPIISCKSMAFALRLYMAGDHISKELKNVLIMYYLQYPFEPFFPESCKIECQKLGIDIEMLKSFNVEKDAIELLIPRRILTLDL"}]}