{"ymdb_id":"YMDB16239","created_at":"2016-09-12T18:27:00.000Z","updated_at":"2016-10-17T22:34:43.000Z","name":"Phosphoribulosylformimino-AICAR-P","cas":null,"state":"Solid","melting_point":null,"description":null,"experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"{[(2R,3R)-5-[(E)-N'-{4-carbamoyl-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}methenimidamido]-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid","traditional_iupac":"[(2R,3R)-5-[(E)-N'-{5-carbamoyl-3-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}methenimidamido]-2,3-dihydroxy-4-oxopentyl]oxyphosphonic acid","logp":"-5.737363277603536","pka":"1.7934181691373459","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":"326.03999999999996","refractivity":"116.21229999999993","polarizability":"48.230933805959594","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"7.349247737604749","pka_strongest_acidic":"1.2972421904531268","bioavailability":"0","number_of_rings":"2","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[{"name":"Histidine Biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[],"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":" intracellular part"},{"category":"Component","description":" cytoplasm"},{"category":"Component","description":" cell part"},{"category":"Function","description":" transferase activity, transferring pentosyl groups"},{"category":"Function","description":" imidazoleglycerol-phosphate synthase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring glycosyl groups"},{"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"},{"category":"Process","description":" 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":" isomerase activity"},{"category":"Function","description":" intramolecular oxidoreductase activity"},{"category":"Function","description":" intramolecular oxidoreductase activity, interconverting aldoses and ketoses"},{"category":"Function","description":" 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide isomerase activity"},{"category":"Function","description":" catalytic activity"},{"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"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cellular amino acid and derivative metabolic 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"}]}