{"ymdb_id":"YMDB00092","created_at":"2011-05-29T15:55:58.000Z","updated_at":"2016-09-08T18:35:00.000Z","name":"5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide","cas":null,"state":null,"melting_point":null,"description":"5-[(5-Phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide is an intermediate in histidine metabolism. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":null,"chebi_id":"27735","hmdb_id":null,"kegg_id":"C04916","pubchem_id":"45266672","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2R,3R)-5-{[({4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}amino)methylidene]amino}-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid","traditional_iupac":"prfar","logp":"-7.470165351894251","pka":"1.6690040229735432","alogps_solubility":"5.21e+00 g/l","alogps_logp":"-1.96","alogps_logs":"-2.04","acceptor_count":"16","donor_count":"10","rotatable_bond_count":"13","polar_surface_area":"326.04","refractivity":"115.97889999999997","polarizability":"47.715867580292866","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"4.752113609585811","pka_strongest_acidic":"1.0317387936112237","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide","N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide","N(1)-(5'-phosphoribulosyl)-formimino-5-aminoimidazole-4-carboxamide ribonucleotide","Phosphoribulosyl-formimino-AICAR-phosphate","PRFAR"],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"}],"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."},{"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":"2011-05-24T19:27:04.000Z","updated_at":"2011-05-27T14:55:58.000Z","name":"Imidazole glycerol phosphate synthase hisHF","uniprot_id":"P33734","uniprot_name":"HIS5_YEAST","enzyme":true,"transporter":false,"gene_name":"HIS7","num_residues":552,"molecular_weight":"61067.60156","theoretical_pi":"5.15","general_function":"Involved in catalytic activity","specific_function":"IGPS catalyzes the conversion of PRFAR and glutamine to IGP, AICAR and glutamate. The glutamine amidotransferase domain provides the ammonia necessary to the cyclase domain to produce IGP and AICAR from PRFAR","reactions":[{"id":1653,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2255,"direction":"\u003e","locations":null,"altext":"5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide + L-glutamine = imidazole-glycerol phosphate + 5-aminoimidazol-4-carboxamide ribonucleotide + L-glutamate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":4161,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006457","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":"1OX6","cellular_location":null,"genbank_gene_id":"X69815","genbank_protein_id":"395155","gene_card_id":"HIS7","chromosome_location":"chromosome 2","locus":"YBR248C","synonyms":["IGP synthase","IGPS","ImGP synthase","Glutamine amidotransferase","Cyclase"],"enzyme_classes":["2.4.2.-","4.1.3.-"],"go_classes":[{"category":"Component","description":" cell part"},{"category":"Component","description":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring glycosyl groups"},{"category":"Function","description":" transferase activity, transferring pentosyl groups"},{"category":"Function","description":" imidazoleglycerol-phosphate synthase activity"},{"category":"Process","description":" histidine family amino acid metabolic process"},{"category":"Process","description":" histidine metabolic process"},{"category":"Process","description":" histidine biosynthetic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"}],"pfams":[{"name":"GATase","identifier":"PF00117"},{"name":"His_biosynth","identifier":"PF00977"}],"pathways":[{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGCCGGTCGTTCACGTGATTGACGTTGAAAGTGGTAACCTACAGTCACTAACCAATGCAATTGAGCATTTAGGTTACGAAGTACAACTGGTGAAATCACCAAAGGATTTTAACATATCAGGCACGTCAAGATTGATTTTGCCTGGTGTCGGAAATTATGCCCATTTCGTCGACAATTTATTTAATAGAGGATTCGAAAAGCCGATAAGAGAATACATTGAATCTGGAAAACCAATAATGGGAATTTGCGTCGGGCTACAAGCGCTCTTTGCCGGTTCCGTGGAAAGCCCTAAGAGTACGGGTCTGAACTACATTGATTTTAAGTTGTCCAGGTTCGATGATTCAGAAAAGCCAGTACCAGAAATAGGTTGGAATTCTTGCATTCCCTCGGAAAACCTATTCTTTGGATTGGATCCATACAAGAGGTACTATTTCGTCCATTCTTTTGCTGCCATTCTGAATTCAGAAAAGAAAAAAAACCTAGAAAATGACGGTTGGAAAATTGCAAAAGCTAAGTACGGTTCAGAGGAATTTATTGCGGCAGTCAACAAGAATAATATATTCGCTACTCAGTTCCATCCTGAAAAATCAGGTAAAGCTGGTTTGAACGTCATTGAGAATTTTTTGAAGCAACAAAGTCCTCCGATTCCAAACTATAGTGCGGAAGAGAAGGAACTCTTAATGAATGACTATTCAAATTATGGTCTAACACGCAGAATTATTGCTTGTCTTGATGTACGTACTAATGACCAAGGTGATTTGGTGGTTACTAAAGGTGATCAATACGATGTACGTGAAAAAAGTGATGGTAAAGGTGTTAGAAACCTTGGTAAGCCTGTTCAGTTGGCACAGAAATATTACCAACAGGGTGCGGATGAAGTAACATTTTTGAATATAACTTCTTTTAGAGATTGTCCTTTGAAGGATACTCCGATGCTAGAGGTTCTGAAACAAGCCGCAAAGACAGTCTTTGTTCCATTGACAGTCGGTGGGGGGATCAAGGATATTGTCGATGTTGATGGAACCAAAATACCTGCTTTAGAAGTTGCAAGTCTATACTTCAGATCTGGTGCTGATAAAGTATCGATCGGTACGGATGCAGTCTATGCAGCCGAAAAATACTACGAGTTGGGTAACAGAGGAGATGGAACGTCACCAATAGAGACAATCTCGAAAGCATACGGTGCTCAGGCAGTTGTTATTTCTGTCGACCCTAAGAGAGTATATGTAAATTCACAAGCAGATACGAAGAACAAAGTCTTCGAGACAGAATATCCGGGCCCCAATGGAGAGAAATACTGCTGGTACCAATGTACAATCAAAGGTGGAAGAGAATCTAGAGACCTTGGTGTGTGGGAATTAACAAGGGCATGTGAAGCTCTAGGTGCTGGGGAGATTTTATTGAACTGCATAGACAAGGATGGCTCTAATTCTGGTTATGATCTGGAATTGATAGAACATGTTAAAGATGCGGTCAAGATTCCCGTCATTGCATCCAGTGGCGCCGGTGTACCCGAACATTTCGAAGAGGCCTTCCTAAAGACCCGCGCAGATGCTTGCTTGGGTGCAGGTATGTTCCACAGAGGTGAATTCACTGTTAACGATGTAAAGGAGTATTTACTAGAGCACGGATTAAAGGTTAGAATGGATGAAGAGTAA","protein_sequence":"MPVVHVIDVESGNLQSLTNAIEHLGYEVQLVKSPKDFNISGTSRLILPGVGNYGHFVDNLFNRGFEKPIREYIESGKPIMGICVGLQALFAGSVESPKSTGLNYIDFKLSRFDDSEKPVPEIGWNSCIPSENLFFGLDPYKRYYFVHSFAAILNSEKKKNLENDGWKIAKAKYGSEEFIAAVNKNNIFATQFHPEKSGKAGLNVIENFLKQQSPPIPNYSAEEKELLMNDYSNYGLTRRIIACLDVRTNDQGDLVVTKGDQYDVREKSDGKGVRNLGKPVQLAQKYYQQGADEVTFLNITSFRDCPLKDTPMLEVLKQAAKTVFVPLTVGGGIKDIVDVDGTKIPALEVASLYFRSGADKVSIGTDAVYAAEKYYELGNRGDGTSPIETISKAYGAQAVVISVDPKRVYVNSQADTKNKVFETEYPGPNGEKYCWYQCTIKGGRESRDLGVWELTRACEALGAGEILLNCIDKDGSNSGYDLELIEHVKDAVKIPVIASSGAGVPEHFEEAFLKTRADACLGAGMFHRGEFTVNDVKEYLLEHGLKVRMDEE"},{"created_at":"2011-05-26T18:20:17.000Z","updated_at":"2011-07-22T17:53:40.000Z","name":"1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase","uniprot_id":"P40545","uniprot_name":"HIS4_YEAST","enzyme":true,"transporter":false,"gene_name":"HIS6","num_residues":261,"molecular_weight":"29556.40039","theoretical_pi":"5.69","general_function":"Involved in catalytic activity","specific_function":"1-(5-phosphoribosyl)-5-((5- phosphoribosylamino)methylideneamino)imidazole-4-carboxamide = 5- ((5-phospho-1-deoxyribulos-1-ylamino)methylideneamino)-1-(5- phosphoribosyl)imidazole-4-carboxamide","reactions":[{"id":1131,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2525,"direction":"\u003e","locations":"Cytoplasm","altext":"1-(5-phosphoribosyl)-5-((5-phosphoribosylamino)methylideneamino)imidazole-4-carboxamide = 5-((5-phospho-1-deoxyribulos-1-ylamino)methylideneamino)-1-(5-phosphoribosyl)imidazole-4-carboxamide.","export":false,"pw_reaction_id":null,"source":null},{"id":4160,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006456","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm","genbank_gene_id":"AY557859","genbank_protein_id":"45269609","gene_card_id":"HIS6","chromosome_location":"chromosome 9","locus":"YIL020C","synonyms":["5-proFAR isomerase","Phosphoribosylformimino-5-aminoimidazole carboxamide ribotide isomerase"],"enzyme_classes":["5.3.1.16"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide isomerase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" isomerase activity"},{"category":"Function","description":" intramolecular oxidoreductase activity"},{"category":"Function","description":" intramolecular oxidoreductase activity, interconverting aldoses and ketoses"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic process"},{"category":"Process","description":" cellular amino acid metabolic process"},{"category":"Process","description":" histidine family amino acid metabolic process"},{"category":"Process","description":" histidine metabolic process"},{"category":"Process","description":" histidine biosynthetic process"}],"pfams":[{"name":"His_biosynth","identifier":"PF00977"}],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGACGAAGTTTATTGGTTGTATAGACCTGCATAATGGAGAGGTTAAACAGATTGTAGGTGGAACGTTAACGAGCAAAAAGGAGGACGTTCCAAAAACTAACTTTGTATCACAACATCCTTCTTCATATTACGCTAAACTTTACAAAGACAGAGATGTCCAAGGATGTCATGTTATTAAGTTGGGACCTAACAATGACGACGCTGCACGCGAGGCACTCCAGGAGTCACCACAATTTCTACAAGTGGGCGGAGGAATTAATGATACGAACTGTTTGGAATGGTTAAAATGGGCCAGTAAAGTAATTGTTACGAGTTGGCTATTTACAAAAGAGGGTCATTTTCAATTAAAAAGGTTAGAAAGACTGACAGAACTATGTGGGAAAGACCGCATTGTTGTAGACTTAAGCTGTAGAAAAACCCAGGACGGTCGTTGGATTGTGGCCATGAACAAATGGCAAACTCTAACTGATCTTGAGCTTAATGCTGACACTTTCAGAGAATTGAGGAAATATACAAATGAGTTTCTAATTCACGCTGCAGACGTTGAAGGTTTGTGTGGTGGTATCGATGAATTATTGGTTTCTAAGCTTTTCGAATGGACCAAAGATTACGATGATTTGAAAATCGTTTATGCTGGTGGGGCCAAAAGTGTTGATGATTTGAAATTAGTAGACGAACTAAGTCACGGAAAAGTAGATTTGACATTCGGTAGTTCCTTAGATATATCTGGTGGTAACCTAGTTAAGTTTGAAGACTGCTGTAGATGGAATGAAAAGCAAGGTTAG","protein_sequence":"MTKFIGCIDLHNGEVKQIVGGTLTSKKEDVPKTNFVSQHPSSYYAKLYKDRDVQGCHVIKLGPNNDDAAREALQESPQFLQVGGGINDTNCLEWLKWASKVIVTSWLFTKEGHFQLKRLERLTELCGKDRIVVDLSCRKTQDGRWIVAMNKWQTLTDLELNADTFRELRKYTNEFLIHAADVEGLCGGIDELLVSKLFEWTKDYDDLKIVYAGGAKSVDDLKLVDELSHGKVDLTFGSSLDIFGGNLVKFEDCCRWNEKQG"}]}