{"ymdb_id":"YMDB16238","created_at":"2016-09-12T18:26:52.000Z","updated_at":"2016-10-17T22:34:43.000Z","name":"PhosphoribosylformiminoAICAR-phosphate","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":"({5-[(E)-N'-(4-carbamoyl-1-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)imidamido]-3,4-dihydroxyoxolan-2-yl}methoxy)phosphonic acid","traditional_iupac":"{5-[(E)-N'-(5-carbamoyl-3-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazol-4-yl)imidamido]-3,4-dihydroxyoxolan-2-yl}methoxyphosphonic acid","logp":"-5.499596393332747","pka":"1.6873312196662251","alogps_solubility":"5.75e+00 g/l","alogps_logp":"-1.76","alogps_logs":"-2.00","acceptor_count":"16","donor_count":"10","rotatable_bond_count":"10","polar_surface_area":"318.20000000000005","refractivity":"114.57389999999994","polarizability":"48.55741570038552","formal_charge":"0","physiological_charge":"-4","pka_strongest_basic":"6.74616566724401","pka_strongest_acidic":"1.210523495823332","bioavailability":"0","number_of_rings":"3","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[{"name":"Histidine Biosynthesis","kegg_map_id":null}],"growth_conditions":[],"references":[],"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":" catalytic activity"},{"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":"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"},{"created_at":"2011-05-27T01:43:05.000Z","updated_at":"2011-05-27T15:01:15.000Z","name":"Histidine biosynthesis trifunctional protein","uniprot_id":"P00815","uniprot_name":"HIS2_YEAST","enzyme":true,"transporter":false,"gene_name":"HIS4","num_residues":799,"molecular_weight":"87720.5","theoretical_pi":"4.94","general_function":"Involved in oxidoreductase activity","specific_function":"1-(5-phosphoribosyl)-AMP + H(2)O = 1-(5- phosphoribosyl)-5-((5- phosphoribosylamino)methylideneamino)imidazole-4-carboxamide","reactions":[{"id":1630,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1882,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":1883,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2637,"direction":"\u003e","locations":"Cytoplasmic","altext":"1-(5-phosphoribosyl)-AMP + H(2)O = 1-(5-phosphoribosyl)-5-((5-phosphoribosylamino)methylideneamino)imidazole-4-carboxamide.","export":false,"pw_reaction_id":null,"source":null},{"id":2638,"direction":"\u003e","locations":"Cytoplasmic","altext":"1-(5-phosphoribosyl)-ATP + H(2)O = 1-(5-phosphoribosyl)-AMP + diphosphate.","export":false,"pw_reaction_id":null,"source":null},{"id":2639,"direction":"\u003e","locations":"Cytoplasmic","altext":"L-histidinol + H(2)O + 2 NAD(+) = L-histidine + 2 NADH.","export":false,"pw_reaction_id":null,"source":null},{"id":4155,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006452","source":"Smpdb"},{"id":4156,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006453","source":"Smpdb"},{"id":4157,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006455","source":"Smpdb"},{"id":4158,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006461","source":"Smpdb"},{"id":4159,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006462","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasmic","genbank_gene_id":"V01310","genbank_protein_id":"3785","gene_card_id":"HIS4","chromosome_location":"chromosome 3","locus":"YCL030C","synonyms":["Phosphoribosyl-AMP cyclohydrolase","Phosphoribosyl-ATP pyrophosphohydrolase","Histidinol dehydrogenase","HDH"],"enzyme_classes":["3.5.4.19","3.6.1.31","1.1.1.23"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" zinc ion binding"},{"category":"Function","description":" hydrolase activity"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds"},{"category":"Function","description":" oxidoreductase activity, acting on CH-OH group of donors"},{"category":"Function","description":" hydrolase activity, acting on acid anhydrides"},{"category":"Function","description":" binding"},{"category":"Function","description":" oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor"},{"category":"Function","description":" nucleotide binding"},{"category":"Function","description":" NAD or NADH binding"},{"category":"Function","description":" hydrolase activity, acting on acid anhydrides, in phosphorus-containing anhydrides"},{"category":"Function","description":" hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amidines"},{"category":"Function","description":" cyclohydrolase activity"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" pyrophosphatase activity"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" phosphoribosyl-ATP diphosphatase activity"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" phosphoribosyl-AMP cyclohydrolase activity"},{"category":"Function","description":" transition metal ion binding"},{"category":"Function","description":" histidinol dehydrogenase activity"},{"category":"Function","description":" oxidoreductase activity"},{"category":"Process","description":" oxidation reduction"},{"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":"Histidinol_dh","identifier":"PF00815"},{"name":"PRA-CH","identifier":"PF01502"},{"name":"PRA-PH","identifier":"PF01503"}],"pathways":[{"name":"Histidine metabolism","kegg_map_id":"00340"},{"name":"Histidine Biosynthesis","kegg_map_id":null}],"gene_sequence":"ATGGTTTTGCCGATTCTACCGTTAATTGATGATCTGGCCTCATGGAATAGTAAGAAGGAATACGTTTCACTTGTTGGTCAGGTACTTTTGGATGGCTCGAGCCTGAGTAATGAAGAGATTCTCCAGTTCTCCAAAGAGGAAGAAGTTCCATTGGTGCGTTTGTCCTTGCCAAGTGGTAAATTCAGCGATGATGAAATCATTGCCTTCTTGAACAACGGAGTTTCTTCTCTGTTCATTGCTAGCCAAGATGCTAAAACAGCCGAACACTTGGTTGAACAATTGAATGTACCAAAGGAGCGTGTTGTTGTGGAAGAGAACGGTGTTTTCTCCAATCAATTCATGGTAAAACAAAAATTCTCGCAAGATAAAATTGTGTCCATAAAGAAATTAAGCAAGGATATGTTGACCAAAGAAGTGCTTGGTGAAGTACGTACAGACCGTCCTGACGGTTTATATACCACCCTAGTTGTCGACCAATATGAGCGTTGTCTAGGGTTGGTGTATTCTTCGAAGAAATCTATAGCAAAGGCCATCGATTTGGGTCGTGGCGTTTATTATTCTCGTTCTAGGAATGAAATCTGGATCAAGGGTGAAACTTCTGGCAATGGCCAAAAGCTTTTACAAATCTCTACTGACTGTGATTCGGATGCCTTAAAGTTTATCGTTGAACAAGAAAACGTTGGATTTTGCCACTTGGAGACCATGTCTTGCTTTGGTGAATTCAAGCATGGTTTGGTGGGGCTAGAATCTTTACTAAAACAAAGGCTACAGGACGCTCCAGAGGAATCTTATACTAGAAGACTATTCAACGACTCTGCATTGTTAGATGCCAAGATCAAGGAAGAAGCTGAAGAACTGACTGAGGCAAAGGGTAAGAAGGAGCTTTCTTGGGAGGCTGCCGATTTGTTCTACTTTGCACTGGCCAAATTAGTGGCCAACGATGTTTCATTGAAGGACGTCGAGAATAATCTGAATATGAAGCATCTGAAGGTTACAAGACGGAAAGGTGATGCTAAGCCAAAGTTTGTTGGACAACCAAAGGCTGAAGAAGAAAAACTGACCGGTCCAATTCACTTGGACGTGGTGAAGGCTTCCGACAAAGTTGGTGTGCAGAAGGCTTTGAGCAGACCAATCCAAAAGACTTCTGAAATTATGTATTTAGTCAATCCGATCATCGAAAATGTTAGAGACAAAGGTAACTCTGTTTTTTTGGAGTACACAGAAAAGTTTGATGGTGTAAAATTATCCAATCCTGTTCTTAATGCTCCATTCCCAGAAGAATACTTTGAAGGTTTAACCGAGGAAATGAAGGAAGCTTTGAACCTTTCAATTGAAAACGTCCGCAAATTCCATGCTGCTCAATTGCCAACAGAGACTCTTGAAGTTGAAACCCAACCTGGTGTCTTGTGTTCCAGATTCCCTCGTCCTATTGAAAAAGTTGGTTTGTATATCCCTGGTGGCACTGCCATTTTACCAAGTACTGCATTAATGCTTGGTGTTCCAGCACAAGTTGCCCAATGTAAGGAGATTGTGTTTGCATCTCCACCAAGAAAATCTGATGGTAAAGTTTCACCCGAAGTTGTTTATGTCGCAGAAAAAGTTGGCGCTTCCAAGATTGTTCTAGCTGGTGGTGCCCAAGCCGTTGCTGCTATGGCTTACGGGACAGAAACTATTCCTAAAGTGGATAAGATCTTGGGTCCAGGTAATCAATTTGTGACTGCCGCCAAAATGTATGTTCAAAATGACACTCAAGCTCTATGTTCCATTGATATGCCAGCTGGCCCAAGTGAAGTTTTGGTTATTGCCGATGAAGATGCCGATGTGGATTTTGTTGCAAGTGATTTGCTATCGCAAGCTGAACACGGTATTGACTCCCAAGTTATCCTTGTTGGTGTTAACTTGAGCGAAAAGAAAATTCAAGAGATTCAAGATGCTGTTCACAATCAAGCTTTACAACTGCCACGTGTGGATATTGTTCGTAAATGTATTGCTCACAGTACGATCGTTCTTTGTGACGGTTACGAAGAAGCCCTTGAAATGTCCAACCAATATGCACCAGAACATTTGATTCTACAAATCGCCAATGCTAACGATTATGTTAAATTGGTTGACAATGCAGGGTCCGTATTTGTGGGTGCTTACACTCCAGAATCGTGCGGTGACTATTCAAGTGGTACTAACCATACATTACCAACCTATGGTTACGCTAGGCAGTACAGTGGTGCCAACACTGCAACCTTCCAAAAGTTTATCACTGCCCAAAACATTACCCCTGAAGGTTTAGAAAACATCGGTAGAGCTGTTATGTGCGTTGCCAAGAAGGAGGGTCTAGACGGTCACAGAAACGCTGTGAAAATCAGAATGAGTAAGCTTGGGTTGTTCCCAAAGGATTTCCAGTAG","protein_sequence":"MVLPILPLIDDLASWNSKKEYVSLVGQVLLDGSSLSNEEILQFSKEEEVPLVALSLPSGKFSDDEIIAFLNNGVSSLFIASQDAKTAEHLVEQLNVPKERVVVEENGVFSNQFMVKQKFSQDKIVSIKKLSKDMLTKEVLGEVRTDRPDGLYTTLVVDQYERCLGLVYSSKKSIAKAIDLGRGVYYSRSRNEIWIKGETSGNGQKLLQISTDCDSDALKFIVEQENVGFCHLETMSCFGEFKHGLVGLESLLKQRLQDAPEESYTRRLFNDSALLDAKIKEEAEELTEAKGKKELSWEAADLFYFALAKLVANDVSLKDVENNLNMKHLKVTRRKGDAKPKFVGQPKAEEEKLTGPIHLDVVKASDKVGVQKALSRPIQKTSEIMHLVNPIIENVRDKGNSALLEYTEKFDGVKLSNPVLNAPFPEEYFEGLTEEMKEALDLSIENVRKFHAAQLPTETLEVETQPGVLCSRFPRPIEKVGLYIPGGTAILPSTALMLGVPAQVAQCKEIVFASPPRKSDGKVSPEVVYVAEKVGASKIVLAGGAQAVAAMAYGTETIPKVDKILGPGNQFVTAAKMYVQNDTQALCSIDMPAGPSEVLVIADEDADVDFVASDLLSQAEHGIDSQVILVGVNLSEKKIQEIQDAVHNQALQLPRVDIVRKCIAHSTIVLCDGYEEALEMSNQYAPEHLILQIANANDYVKLVDNAGSVFVGAYTPESCGDYSSGTNHTLPTYGYARQYSGANTATFQKFITAQNITPEGLENIGRAVMCVAKKEGLDGHRNAVKIRMSKLGLIPKDFQ"}]}