{"ymdb_id":"YMDB00983","created_at":"2011-06-14T17:59:34.000Z","updated_at":"2016-09-08T18:36:07.000Z","name":"5-((5-phospho-1-deoxyribulos-1-ylamino)methylideneamino)-1-(5-phosphoribosyl)imidazole-4-carboxamide","cas":"36244-86-7","state":null,"melting_point":null,"description":"5-((5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino)-1-(5-phosphoribosyl)imidazole-4-carboxamide is involved in histidine metabolism. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"27735","hmdb_id":"","kegg_id":"C04916","pubchem_id":"193735","cs_id":"","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":16731983,"citation":"Quevillon-Cheruel, S., Leulliot, N., Graille, M., Blondeau, K., Janin, J., van Tilbeurgh, H. (2006). \"Crystal structure of the yeast His6 enzyme suggests a reaction mechanism.\" Protein Sci 15:1516-1521."}],"proteins":[{"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":" 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"},{"category":"Process","description":" histidine family amino acid 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"}]}