{"ymdb_id":"YMDB00211","created_at":"2011-05-29T16:07:20.000Z","updated_at":"2016-09-08T18:35:11.000Z","name":"8-Oxo-dGTP","cas":"139307-94-1","state":"Solid","melting_point":"","description":"8-OxodGTP (8-oxo-2′-deoxyguanosine-5′-triphosphate) is a mutagenic nucleotide which can cause transversion mutations when incorporated into DNA.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"Nucleus, Peroxisome","synthesis_reference":null,"chebi_id":null,"hmdb_id":"HMDB11615","kegg_id":null,"pubchem_id":"107902","cs_id":"24784983","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"({[({[(3S)-5-(2-amino-6,8-dioxo-6,7,8,9-tetrahydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid","traditional_iupac":"({[(3S)-5-(2-amino-6,8-dioxo-3,7-dihydropurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid","logp":"-4.545055855050448","pka":"2.340427720341765","alogps_solubility":"1.03e+01 g/l","alogps_logp":"-0.38","alogps_logs":"-1.71","acceptor_count":"14","donor_count":"8","rotatable_bond_count":"8","polar_surface_area":"289.09999999999997","refractivity":"105.31209999999997","polarizability":"39.750756351350766","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"2.5860690099453763","pka_strongest_acidic":"0.9935732315783339","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["2'-deoxy-7,8-dihydro-8-oxo-Guanosine 5'-(tetrahydrogen triphosphate)","8-Hydroxy-2'-deoxyguanosine 5'-triphosphate","8-Oxo-2'-deoxyguanosine 5'-triphosphate","8-Oxo-7,8-dihydro-2'-deoxyguanosine 5'-triphosphate","8-Oxo-deoxyguanosine triphosphate","8-Oxo-dGTP"],"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":"2011-05-26T16:41:31.000Z","updated_at":"2011-05-27T15:01:00.000Z","name":"Peroxisomal coenzyme A diphosphatase 1, peroxisomal","uniprot_id":"Q12524","uniprot_name":"PCD1_YEAST","enzyme":true,"transporter":false,"gene_name":"PCD1","num_residues":340,"molecular_weight":"39754.5","theoretical_pi":"6.59","general_function":"Involved in hydrolase activity","specific_function":"Coenzyme A diphosphatase which mediates the cleavage of CoA into 3',5'-ADP and 4'-phosphopantetheine. Has a strong preference for oxidized CoA disulfide (CoASSCoA) as substrate. May be required to remove potentially toxic oxidized CoA disulfide to maintain the capacity for beta-oxidation of fatty acids. Can degrade 8-oxo-dGTP in vitro; however, such activity may not be relevant in vivo","reactions":[{"id":2438,"direction":"\u003e","locations":"Peroxisome","altext":"8-oxo-dGTP + H(2)O = 8-oxo-dGMP + diphosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Peroxisome","genbank_gene_id":"AY557953","genbank_protein_id":"45269798","gene_card_id":"PCD1","chromosome_location":"chromosome 12","locus":"YLR151C","synonyms":[],"enzyme_classes":["3.6.1.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" manganese ion binding"},{"category":"Function","description":" hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides"},{"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":" hydrolase activity"},{"category":"Function","description":" magnesium ion binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" hydrolase activity, acting on acid anhydrides"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleoside diphosphate metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"}],"pfams":[{"name":"NUDIX","identifier":"PF00293"}],"pathways":[],"gene_sequence":"ATGATATTAAGTCAGAGGAGGATGCTGAGTTCAAAGCAACTAATAGAGAACTTGATAAGATACAAATTTCATAAAACACCATATACTCGGAGCTCAATATGGCCTTTCAAAAGAAATTCGGCGGTAATAATACTATTATTCATTGGAATGAAAGGCGAACTACGAGTGCTTTTAACTAAACGTTCAAGAACATTGAGAAGCTTCTCAGGTGATGTTTCATTTCCTGGAGGTAAAGCTGATTATTTTCAAGAAACCTTTGAAAGCGTAGCCAGAAGAGAAGCTGAAGAGGAGATTGGGTTACCGCATGATCCTGAGGTCTTGCATAAGGAGTTCGGAATGAAATTAGACAATTTGGTCATGGATATGCCATGCTATTTATCAAGAACATTTTTAAGTGTTAAGCCAATGGTCTGTTTTCTTTACAAAGATAAATTAGAAAAACATGAGGATAAATACAAAGTTCCCTTAGATATCCGTAAGTTTTTTGGTAAGCTGAACCCTGGAGAAACATCTTCTTTGTTTTCTGTACCACTCAATGACTTAGTTATACATCTTCTTCCTGAAGCCGATGAGGATGTTAAGAGTTATCAAGCAGAATATTTTGAGCGGAAGGAGTATAAGCTTAATTGGGGTGGAATAAAATGGTTGATTATGCATTATCATTTTCACGTAGCAAATAATAACGAAATGCCATGGTTGCAAACCATAGAGGATTTATCAAGTTCAGACGAAGACGGTGTTGATGGAGGTATTTTCAGATTCAGGGATTTGTGGGGACTCACATGTAAAATATTATTCGACGTTTCATGTATAGCTAATGGACTAATGGACGAAAAGTTAAAAGGAGAACTAGGGCACGAAGATTTGATAGTTGGACTACATGACTATGGTAATCAGATGCAACCGAACGGAAGAAGTGAATGGGAGATAGGAATGATCAACGGCGACAGAAACTTAAAATATAGCGATGTGATACCTGAATACTACATGAAGCACCTGCTGGAGTGCCGCTCGCTTTGGTAA","protein_sequence":"MILSQRRMLSSKQLIENLIRYKFHKTPYTRSSIWPFKRNSAVIILLFIGMKGELRVLLTKRSRTLRSFSGDVSFPGGKADYFQETFESVARREAEEEIGLPHDPEVLHKEFGMKLDNLVMDMPCYLSRTFLSVKPMVCFLYKDKLEKHEDKYKVPLDIRKFFGKLNPGETSSLFSVPLNDLVIHLLPEADEDVKSYQAEYFERKEYKLNWGGIKWLIMHYHFHVANNNEMPWLQTIEDLSSSDEDGVDGGIFRFRDLWGLTCKILFDVSCIANGLMDEKLKGELGHEDLIVGLHDYGNQMQPNGRSEWEIGMINGDRNLKYSDVIPEYYMKHLLECRSLW"}]}