{"ymdb_id":"YMDB00559","created_at":"2011-05-29T18:31:04.000Z","updated_at":"2016-09-08T18:35:37.000Z","name":"ITP","cas":"132-06-9","state":"Solid","melting_point":null,"description":"Inosine triphosphate (ITP) is an intermediate in the purine metabolism pathway. Relatively high levels of ITP in red cells are found in individuals as result of deficiency of inosine triphosphatase [EC 3.1.3.56] ITPase is a cytosolic nucleoside triphosphate pyrophosphohydrolase specific for ITP catalysis to inosine monophosphate (IMP) and deoxy-inosine triphosphate (dITP) to deoxy-inosine monophosphate. ITPase's function is not clearly understood but possible roles for ITPase could be to prevent the accumulation of rogue nucleotides which would be otherwise incorporated into DNA and RNA, or compete with nucleotides such as GTP in signalling processes. [PMID : 170291, 1204209, 17113761, 17924837]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"mitochondrion;cytoplasm","synthesis_reference":"Nakayama, Kiyoshi; Tanaka, Haruo.  Fermentative preparation of inosine di- and triphosphate.    Jpn. Tokkyo Koho  (1972),     2 pp.","chebi_id":"16039","hmdb_id":"HMDB00189","kegg_id":"C00081","pubchem_id":"8583","cs_id":"8265","foodb_id":null,"wikipedia_link":"ITP","biocyc_id":"ITP","iupac":"({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid","traditional_iupac":"({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid","logp":"-2.692500230604487","pka":"2.5318241759878544","alogps_solubility":"4.78e+00 g/l","alogps_logp":"-0.67","alogps_logs":"-2.03","acceptor_count":"14","donor_count":"7","rotatable_bond_count":"8","polar_surface_area":"273.3399999999999","refractivity":"93.09479999999998","polarizability":"38.09312434609224","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-0.4994679811615551","pka_strongest_acidic":"0.9127201391685666","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["2'-inosine-5'-triphosphate","5-ITP","5'-ITP","Inosine 5","Inosine 5-triphopshate","inosine 5-triphosphate","inosine 5'-(tetrahydrogen triphosphate)","Inosine 5'-triphosphate","Inosine 5(tetrahydrogen triphosphate)","inosine triphosphate","Inosine triphosphic acid","inosine tripolyphosphate","ITP","ITT"],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"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."}],"proteins":[{"created_at":"2011-05-26T16:57:01.000Z","updated_at":"2011-05-27T15:01:01.000Z","name":"Nucleoside diphosphate kinase","uniprot_id":"P36010","uniprot_name":"NDK_YEAST","enzyme":true,"transporter":false,"gene_name":"YNK1","num_residues":153,"molecular_weight":"17166.59961","theoretical_pi":"9.05","general_function":"Involved in nucleoside diphosphate kinase activity","specific_function":"Major role in the synthesis of nucleoside triphosphates other than ATP. The ATP gamma phosphate is transferred to the NDP beta phosphate via a ping-pong mechanism, using a phosphorylated active-site intermediate. Required for repair of UV radiation- and etoposide-induced DNA damage","reactions":[{"id":1786,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1787,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1788,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1789,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1790,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1791,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1792,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1793,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1794,"direction":"\u003c\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2454,"direction":"\u003e","locations":"Cytoplasm. Mitochondrion intermembrane space.","altext":"ATP + nucleoside diphosphate = ADP + nucleoside triphosphate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Mitochondrion intermembrane space.","genbank_gene_id":"AY558263","genbank_protein_id":"45270416","gene_card_id":"YNK1","chromosome_location":"chromosome 11","locus":"YKL067W","synonyms":["NDK","NDP kinase"],"enzyme_classes":["2.7.4.6"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" phosphotransferase activity, phosphate group as acceptor"},{"category":"Function","description":" nucleoside diphosphate kinase activity"},{"category":"Process","description":" UTP biosynthetic process"},{"category":"Process","description":" GTP biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" pyrimidine nucleotide metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" pyrimidine nucleotide biosynthetic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" purine nucleoside triphosphate biosynthetic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"},{"category":"Process","description":" purine ribonucleoside triphosphate biosynthetic process"},{"category":"Process","description":" nucleobase, nucleoside and nucleotide metabolic process"},{"category":"Process","description":" nucleoside phosphate metabolic process"},{"category":"Process","description":" nucleotide metabolic process"},{"category":"Process","description":" CTP biosynthetic process"},{"category":"Process","description":" purine nucleotide metabolic process"},{"category":"Process","description":" pyrimidine nucleoside triphosphate biosynthetic process"},{"category":"Process","description":" pyrimidine ribonucleoside triphosphate biosynthetic process"},{"category":"Process","description":" purine nucleotide biosynthetic process"}],"pfams":[{"name":"NDK","identifier":"PF00334"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"},{"name":"Pyrimidine metabolism","kegg_map_id":"00240"}],"gene_sequence":"ATGTCTAGTCAAACAGAAAGAACTTTTATTGCGGTAAAACCAGATGGTGTCCAGAGGGGCTTAGTATCTCAAATTCTATCTCGTTTTGAAAAAAAAGGTTACAAACTAGTTGCTATTAAATTAGTTAAAGCGGATGATAAATTACTAGAGCAACATTACGCAGAGCATGTTGGTAAACCATTTTTCCCAAAGATGGTATCCTTTATGAAGTCTGGTCCCATTTTGGCCACGGTCTGGGAGGGAAAAGATGTGGTTAGACAAGGAAGAACTATTCTTGGTGCTACTAATCCTTTGGGCAGTGCACCAGGTACCATTAGAGGTGATTTCGGTATTGACCTAGGCAGAAACGTCTGTCACGGCAGTGATTCTGTTGATAGCGCTGAACGTGAAATCAATTTGTGGTTTAAGAAGGAAGAGTTAGTTGATTGGGAATCTAATCAAGCTAAGTGGATTTATGAATGA","protein_sequence":"MSSQTERTFIAVKPDGVQRGLVSQILSRFEKKGYKLVAIKLVKADDKLLEQHYAEHVGKPFFPKMVSFMKSGPILATVWEGKDVVRQGRTILGATNPLGSAPGTIRGDFGIDLGRNVCHGSDSVDSAEREINLWFKKEELVDWESNQAKWIYE"},{"created_at":"2011-05-26T18:45:56.000Z","updated_at":"2011-07-22T17:54:01.000Z","name":"Adenylate kinase 2","uniprot_id":"P26364","uniprot_name":"KAD2_YEAST","enzyme":true,"transporter":false,"gene_name":"ADK2","num_residues":225,"molecular_weight":"25193.69922","theoretical_pi":"9.42","general_function":"Involved in ATP binding","specific_function":"This small ubiquitous enzyme is essential for maintenance and cell growth","reactions":[{"id":1276,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1277,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1278,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2551,"direction":"\u003e","locations":"Cytoplasm. Nucleus;Cytoplasm, cytosol. Mitochondrion intermembrane space;Mitochondrion","altext":"ATP + AMP = 2 ADP.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"AY558457","genbank_protein_id":"45270804","gene_card_id":"ADK2","chromosome_location":"chromosome 5","locus":"YER170W","synonyms":["AK 2","ATP-AMP transphosphorylase 2"],"enzyme_classes":["2.7.4.3"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" nucleotide kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" phosphotransferase activity, phosphate group as acceptor"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" nucleobase, nucleoside, nucleotide kinase activity"},{"category":"Function","description":" adenylate kinase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"}],"pfams":[{"name":"ADK","identifier":"PF00406"},{"name":"ADK_lid","identifier":"PF05191"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGAAAGCAGACGCGAAACAAATAACACATCTACTCAAACCTCTTCGACTTTTATTATTGGGGGCTCCAGGGTCAGGTAAAGGGACACAGACTTCGAGATTACTAAAGCAAATTCCACAATTATCTTCAATTTCGTCAGGCGACATTTTACGTCAGGAAATAAAATCTGAATCTACCCTAGGCCGAGAGGCTACTACCTACATTGCTCAAGGCAAGTTATTACCGGATGATCTCATAACGCGTCTGATAACTTTTCGTCTTTCGGCATTGGGTTGGTTAAAACCATCTGCCATGTGGTTGCTCGATGGATTTCCTCGAACTACTGCGCAAGCTTCTGCCTTAGACGAGCTGCTGAAACAGCATGACGCCAGCTTGAATCTAGTGGTAGAGCTAGATGTACCCGAATCCACCATATTAGAAAGGATCGAGAACAGATATGTTCACGTTCCTAGTGGGAGAGTGTATAACTTACAATATAATCCTCCCAAAGTGCCAGGATTAGACGATATCACCGGAGAACCATTGACCAAGAGGCTTGATGACACAGCGGAAGTGTTTAAAAAAAGGCTAGAAGAGTACAAGAAAACAAATGAGCCTTTAAAAGATTATTACAAAAAAAGTGGGATTTTTGGTACCGTCTCTGGGGAAACATCAGATATTATCTTCCGAAATTATTGA","protein_sequence":"MKADAKQITHLLKPLRLLLLGAPGSGKGTQTSRLLKQIPQLSSISSGDILRQEIKSESTLGREATTYIAQGKLLPDDLITRLITFRLSALGWLKPSAMWLLDGFPRTTAQASALDELLKQHDASLNLVVELDVPESTILERIENRYVHVPSGRVYNLQYNPPKVPGLDDITGEPLTKRLDDTAEVFKKRLEEYKKTNEPLKDYYKKSGIFGTVSGETSDIIFRNY"},{"created_at":"2011-05-26T18:59:10.000Z","updated_at":"2011-07-22T17:54:00.000Z","name":"Adenylate kinase 1","uniprot_id":"P07170","uniprot_name":"KAD1_YEAST","enzyme":true,"transporter":false,"gene_name":"ADK1","num_residues":222,"molecular_weight":"24254.5","theoretical_pi":"6.37","general_function":"Involved in ATP binding","specific_function":"Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Small ubiquitous enzyme involved in energy metabolism and nucleotide synthesis that is essential for maintenance and cell growth. Functions both in the cytoplasm and mitochondrion intermembrane space","reactions":[{"id":1276,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1277,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1278,"direction":"\u003c\u003e","locations":"mitochondrion;cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2551,"direction":"\u003e","locations":"Cytoplasm. Nucleus;Cytoplasm, cytosol. Mitochondrion intermembrane space;Mitochondrion","altext":"ATP + AMP = 2 ADP.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1AKY","cellular_location":"Cytoplasm, cytosol. Mitochondrion intermembrane space","genbank_gene_id":"AY558578","genbank_protein_id":"45271046","gene_card_id":"ADK1","chromosome_location":"chromosome 4","locus":"YDR226W","synonyms":["AK 1","ATP-AMP transphosphorylase 1","Adenylate kinase cytosolic and mitochondrial"],"enzyme_classes":["2.7.4.3"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" nucleotide kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" phosphotransferase activity, phosphate group as acceptor"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" nucleobase, nucleoside, nucleotide kinase activity"},{"category":"Function","description":" adenylate kinase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" cellular nitrogen compound metabolic process"},{"category":"Process","description":" nucleobase, nucleoside, nucleotide and nucleic acid metabolic process"}],"pfams":[{"name":"ADK","identifier":"PF00406"},{"name":"ADK_lid","identifier":"PF05191"}],"pathways":[{"name":"Purine metabolism","kegg_map_id":"00230"}],"gene_sequence":"ATGTCTAGCTCAGAATCCATTAGAATGGTCCTAATTGGCCCACCTGGTGCCGGTAAAGGTACTCAAGCTCCAAATTTGCAAGAGCGTTTCCATGCCGCTCACTTGGCCACTGGTGACATGTTGAGATCTCAAATCGCAAAGGGCACTCAATTAGGTTTGGAAGCAAAGAAAATTATGGACCAAGGTGGTTTAGTCTCTGATGACATTATGGTTAACATGATCAAGGATGAATTGACCAACAATCCAGCTTGTAAGAATGGGTTCATCTTGGACGGTTTCCCAAAAACCATTCCTCAGGCTGAAAAATTGGACCAAATGTTGAAAGAACAAGGAACTCCTTTGGAAAAAGCCATCGAATTGAAGGTTGATGATGAATTGTTGGTTGCCAGAATTACCGGTAGATTAATTCACCCAGCCTCTGGCAGATCCTACCACAAGATCTTTAACCCACCAAAGGAAGACATGAAGGATGACGTCACCGGTGAAGCTTTAGTTCAAAGATCTGATGACAATGCAGACGCCTTGAAGAAGAGATTAGCTGCTTACCATGCTCAAACCGAACCAATTGTTGACTTTTACAAAAAGACCGGTATCTGGGCTGGTGTTGATGCTTCCCAACCTCCTGCTACTGTTTGGGCTGACATCTTGAACAAGCTAGGTAAGGATTAA","protein_sequence":"MSSSESIRMVLIGPPGAGKGTQAPNLQERFHAAHLATGDMLRSQIAKGTQLGLEAKKIMDQGGLVSDDIMVNMIKDELTNNPACKNGFILDGFPRTIPQAEKLDQMLKEQGTPLEKAIELKVDDELLVARITGRLIHPASGRSYHKIFNPPKEDMKDDVTGEALVQRSDDNADALKKRLAAYHAQTEPIVDFYKKTGIWAGVDASQPPATVWADILNKLGKD"}]}