{"ymdb_id":"YMDB00089","created_at":"2011-05-29T15:55:37.000Z","updated_at":"2016-09-08T18:35:00.000Z","name":"D-Erythro-imidazole-glycerol-phosphate","cas":"36244-87-8","state":"Solid","melting_point":"","description":"D-Erythro-imidazole-glycerol-phosphate is an intermediate in histidine metabolism. It is a substrate for imidazoleglycerol-phosphate dehydratase.","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"17805","hmdb_id":"HMDB12208","kegg_id":"C04666","pubchem_id":"440431","cs_id":"24785682","foodb_id":null,"wikipedia_link":null,"biocyc_id":"D-ERYTHRO-IMIDAZOLE-GLYCEROL-P","iupac":"[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid","traditional_iupac":"(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxyphosphonic acid","logp":"-4.2779145684391855","pka":"6.5993663135356275","alogps_solubility":"2.22e+01 g/l","alogps_logp":"-1.59","alogps_logs":"-1.03","acceptor_count":"6","donor_count":"5","rotatable_bond_count":"5","polar_surface_area":"135.9","refractivity":"48.1795","polarizability":"19.78655716370441","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"5.78529472668903","pka_strongest_acidic":"1.482402993615492","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate","D-erythro-Imidazole-glycerol 3-phosphate","D-erythro-imidazole-glycerol phosphate","D-erythro-imidazoleglycerol-phosphate"],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine Biosynthesis","kegg_map_id":null}],"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":" transferase activity, transferring glycosyl groups"},{"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":"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":"GATase","identifier":"PF00117"},{"name":"His_biosynth","identifier":"PF00977"}],"pathways":[{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGCCGGTCGTTCACGTGATTGACGTTGAAAGTGGTAACCTACAGTCACTAACCAATGCAATTGAGCATTTAGGTTACGAAGTACAACTGGTGAAATCACCAAAGGATTTTAACATATCAGGCACGTCAAGATTGATTTTGCCTGGTGTCGGAAATTATGCCCATTTCGTCGACAATTTATTTAATAGAGGATTCGAAAAGCCGATAAGAGAATACATTGAATCTGGAAAACCAATAATGGGAATTTGCGTCGGGCTACAAGCGCTCTTTGCCGGTTCCGTGGAAAGCCCTAAGAGTACGGGTCTGAACTACATTGATTTTAAGTTGTCCAGGTTCGATGATTCAGAAAAGCCAGTACCAGAAATAGGTTGGAATTCTTGCATTCCCTCGGAAAACCTATTCTTTGGATTGGATCCATACAAGAGGTACTATTTCGTCCATTCTTTTGCTGCCATTCTGAATTCAGAAAAGAAAAAAAACCTAGAAAATGACGGTTGGAAAATTGCAAAAGCTAAGTACGGTTCAGAGGAATTTATTGCGGCAGTCAACAAGAATAATATATTCGCTACTCAGTTCCATCCTGAAAAATCAGGTAAAGCTGGTTTGAACGTCATTGAGAATTTTTTGAAGCAACAAAGTCCTCCGATTCCAAACTATAGTGCGGAAGAGAAGGAACTCTTAATGAATGACTATTCAAATTATGGTCTAACACGCAGAATTATTGCTTGTCTTGATGTACGTACTAATGACCAAGGTGATTTGGTGGTTACTAAAGGTGATCAATACGATGTACGTGAAAAAAGTGATGGTAAAGGTGTTAGAAACCTTGGTAAGCCTGTTCAGTTGGCACAGAAATATTACCAACAGGGTGCGGATGAAGTAACATTTTTGAATATAACTTCTTTTAGAGATTGTCCTTTGAAGGATACTCCGATGCTAGAGGTTCTGAAACAAGCCGCAAAGACAGTCTTTGTTCCATTGACAGTCGGTGGGGGGATCAAGGATATTGTCGATGTTGATGGAACCAAAATACCTGCTTTAGAAGTTGCAAGTCTATACTTCAGATCTGGTGCTGATAAAGTATCGATCGGTACGGATGCAGTCTATGCAGCCGAAAAATACTACGAGTTGGGTAACAGAGGAGATGGAACGTCACCAATAGAGACAATCTCGAAAGCATACGGTGCTCAGGCAGTTGTTATTTCTGTCGACCCTAAGAGAGTATATGTAAATTCACAAGCAGATACGAAGAACAAAGTCTTCGAGACAGAATATCCGGGCCCCAATGGAGAGAAATACTGCTGGTACCAATGTACAATCAAAGGTGGAAGAGAATCTAGAGACCTTGGTGTGTGGGAATTAACAAGGGCATGTGAAGCTCTAGGTGCTGGGGAGATTTTATTGAACTGCATAGACAAGGATGGCTCTAATTCTGGTTATGATCTGGAATTGATAGAACATGTTAAAGATGCGGTCAAGATTCCCGTCATTGCATCCAGTGGCGCCGGTGTACCCGAACATTTCGAAGAGGCCTTCCTAAAGACCCGCGCAGATGCTTGCTTGGGTGCAGGTATGTTCCACAGAGGTGAATTCACTGTTAACGATGTAAAGGAGTATTTACTAGAGCACGGATTAAAGGTTAGAATGGATGAAGAGTAA","protein_sequence":"MPVVHVIDVESGNLQSLTNAIEHLGYEVQLVKSPKDFNISGTSRLILPGVGNYGHFVDNLFNRGFEKPIREYIESGKPIMGICVGLQALFAGSVESPKSTGLNYIDFKLSRFDDSEKPVPEIGWNSCIPSENLFFGLDPYKRYYFVHSFAAILNSEKKKNLENDGWKIAKAKYGSEEFIAAVNKNNIFATQFHPEKSGKAGLNVIENFLKQQSPPIPNYSAEEKELLMNDYSNYGLTRRIIACLDVRTNDQGDLVVTKGDQYDVREKSDGKGVRNLGKPVQLAQKYYQQGADEVTFLNITSFRDCPLKDTPMLEVLKQAAKTVFVPLTVGGGIKDIVDVDGTKIPALEVASLYFRSGADKVSIGTDAVYAAEKYYELGNRGDGTSPIETISKAYGAQAVVISVDPKRVYVNSQADTKNKVFETEYPGPNGEKYCWYQCTIKGGRESRDLGVWELTRACEALGAGEILLNCIDKDGSNSGYDLELIEHVKDAVKIPVIASSGAGVPEHFEEAFLKTRADACLGAGMFHRGEFTVNDVKEYLLEHGLKVRMDEE"},{"created_at":"2011-05-26T17:02:21.000Z","updated_at":"2011-05-27T15:01:01.000Z","name":"Imidazoleglycerol-phosphate dehydratase","uniprot_id":"P06633","uniprot_name":"HIS7_YEAST","enzyme":true,"transporter":false,"gene_name":"HIS3","num_residues":220,"molecular_weight":"23833.0","theoretical_pi":"6.37","general_function":"Involved in imidazoleglycerol-phosphate dehydratase activity","specific_function":"D-erythro-1-(imidazol-4-yl)glycerol 3- phosphate = 3-(imidazol-4-yl)-2-oxopropyl phosphate + H(2)O","reactions":[{"id":1654,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2459,"direction":"\u003e","locations":null,"altext":"D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate = 3-(imidazol-4-yl)-2-oxopropyl phosphate + H(2)O.","export":false,"pw_reaction_id":null,"source":null},{"id":4162,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006458","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AJ585705","genbank_protein_id":"45720014","gene_card_id":"HIS3","chromosome_location":"chromosome 15","locus":"YOR202W","synonyms":["IGPD"],"enzyme_classes":["4.2.1.19"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" lyase activity"},{"category":"Function","description":" carbon-oxygen lyase activity"},{"category":"Function","description":" hydro-lyase activity"},{"category":"Function","description":" imidazoleglycerol-phosphate dehydratase activity"},{"category":"Function","description":" catalytic activity"},{"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":"IGPD","identifier":"PF00475"}],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGACAGAGCAGAAAGCCCTAGTAAAGCGTATTACAAATGAAACCAAGATTCAGATTGCGATCTCTTTAAAGGGTGGTCCCCTAGCGATAGAGCACTCGATCTTCCCAGAAAAAGAGGCAGAAGCAGTAGCAGAACAGGCCACACAATCGCAAGTGATTAACGTCCACACAGGTATAGGGTTTCTGGACCATATGATACATGCTCTGGCCAAGCATTCCGGCTGGTCGCTAATCGTTGAGTGCATTGGTGACTTACACATAGACGACCATCACACCACTGAAGACTGCGGGATTGCTCTCGGTCAAGCTTTTAAAGAGGCCCTAGGGGCCGTGCGTGGAGTAAAAAGGTTTGGATCAGGATTTGCGCCTTTGGATGAGGCACTTTCCAGAGCGGTGGTAGATCTTTCGAACAGGCCGTACGCAGTTGTCGAACTTGGTTTGCAAAGGGAGAAAGTAGGAGATCTCTCTTGCGAGATGATCCCGCATTTTCTTGAAAGCTTTGCAGAGGCTAGCAGAATTACCCTCCACGTTGATTGTCTGCGAGGCAAGAATGATCATCACCGTAGTGAGAGTGCGTTCAAGGCTCTTGCGGTTGCCATAAGAGAAGCCACCTCGCCCAATGGTACCAACGATGTTCCCTCCACCAAAGGTGTTCTTATGTAG","protein_sequence":"MTEQKALVKRITNETKIQIAISLKGGPLAIEHSIFPEKEAEAVAEQATQSQVINVHTGIGFLDHMIHALAKHSGWSLIVECIGDLHIDDHHTTEDCGIALGQAFKEALGAVRGVKRFGSGFAPLDEALSRAVVDLSNRPYAVVELGLQREKVGDLSCEMIPHFLESFAEASRITLHVDCLRGKNDHHRSESAFKALAVAIREATSPNGTNDVPSTKGVLM"}]}