{"ymdb_id":"YMDB00021","created_at":"2011-05-29T15:49:13.000Z","updated_at":"2016-09-08T18:34:54.000Z","name":"precorrin-1","cas":null,"state":null,"melting_point":null,"description":"Precorrin-1 is the first intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"","synthesis_reference":null,"chebi_id":"52469","hmdb_id":null,"kegg_id":"C15527","pubchem_id":"25245954","cs_id":"24808144","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-[(4S,5S)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3(24),6,8,10,13,15,18-octaen-4-yl]propanoic acid","traditional_iupac":"3-[(4S,5S)-10,14,19-tris(2-carboxyethyl)-5,9,15,20-tetrakis(carboxymethyl)-5-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(20),3(24),6,8,10,13,15,18-octaen-4-yl]propanoic acid","logp":"1.5674665769999998","pka":"3.54907401394642","alogps_solubility":"4.31e-02 g/l","alogps_logp":"0.82","alogps_logs":"-4.30","acceptor_count":"17","donor_count":"11","rotatable_bond_count":"20","polar_surface_area":"358.12999999999994","refractivity":"211.01020000000017","polarizability":"85.29404408948","formal_charge":"0","physiological_charge":"-8","pka_strongest_basic":null,"pka_strongest_acidic":"3.1769468444117646","bioavailability":"0","number_of_rings":"5","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":["Precorrin 1"],"pathways":[],"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."}],"proteins":[{"created_at":"2011-05-24T20:23:06.000Z","updated_at":"2011-05-27T14:56:00.000Z","name":"Uroporphyrinogen-III C-methyltransferase","uniprot_id":"P36150","uniprot_name":"SUMT_YEAST","enzyme":true,"transporter":false,"gene_name":"MET1","num_residues":593,"molecular_weight":"66124.70313","theoretical_pi":"6.53","general_function":"Involved in methyltransferase activity","specific_function":"Siroheme synthase involved in methionine biosynthesis","reactions":[{"id":2041,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2312,"direction":"\u003e","locations":null,"altext":"S-adenosyl-L-methionine + uroporphyrinogen III = S-adenosyl-L-homocysteine + precorrin-1.","export":false,"pw_reaction_id":null,"source":null},{"id":2313,"direction":"\u003e","locations":null,"altext":"S-adenosyl-L-methionine + precorrin-1 = S-adenosyl-L-homocysteine + precorrin-2.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z28294","genbank_protein_id":"486539","gene_card_id":"MET1","chromosome_location":"chromosome 11","locus":"YKR069W","synonyms":["Urogen III methylase","SUMT","Uroporphyrinogen III methylase","UROM"],"enzyme_classes":["2.1.1.107"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring one-carbon groups"},{"category":"Function","description":" methyltransferase activity"},{"category":"Function","description":" C-methyltransferase activity"},{"category":"Function","description":" uroporphyrin-III C-methyltransferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" nitrogen compound metabolic process"},{"category":"Process","description":" oxidation reduction"},{"category":"Process","description":" heme biosynthetic process"},{"category":"Process","description":" siroheme biosynthetic process"},{"category":"Process","description":" tetrapyrrole metabolic process"},{"category":"Process","description":" porphyrin metabolic process"},{"category":"Process","description":" porphyrin biosynthetic process"}],"pfams":[{"name":"TP_methylase","identifier":"PF00590"}],"pathways":[{"name":"Porphyrin and chlorophyll metabolism","kegg_map_id":"00860"}],"gene_sequence":"ATGGTACGAGACTTAGTGACATTGCCTTCATCACTGCCCTTGATTACTGCTGGTTTTGCTACTGATCAGGTTCATTTGCTTATTGGTACAGGGTCCACGGACTCAGTAAGCGTTTGTAAGAATAGAATCCACTCCATTTTGAATGCTGGTGGTAATCCCATAGTAGTGAATCCCTCGTCACCAAGCCATACTAAACAATTACAATTGGAATTTGGTAAGTTTGCAAAGTTCGAAATAGTAGAAAGGGAGTTTAGGTTATCTGATTTAACTACTTTGGGGAGAGTTCTGGTATGCAAGGTAGTGGATAGAGTATTCGTAGATCTACCCATAACACAAAGTCGCCTATGCGAGGAGATCTTTTGGCAATGCCAAAAACTGAGAATTCCCATAAATACATTCCACAAACCAGAGTTTTCTACCTTCAATATGATTCCTACGTGGGTCGACCCAAAAGGAAGTGGTTTACAAATCTCAGTTACTACGAATGGGAATGGATACATCTTGGCAAACAGGATAAAAAGAGATATAATATCACACTTACCTCCAAACATATCTGAGGTGGTGATAAACATGGGGTATTTGAAAGACCGTATTATAAACGAAGACCATAAGGCCTTGTTAGAGGAAAAGTACTACCAGACTGACATGTCATTACCTGGATTTGGCTACGGCTTAGATGAGGACGGTTGGGAGAGCCATAAGTTTAATAAGCTAATTCGTGAATTTGAAATGACCAGTAGAGAACAGAGACTTAAGAGAACCAGATGGTTATCTCAGATAATGGAGTATTACCCGATGAACAAGCTGAGTGACATCAAGTTGGAAGATTTCGAGACTTCATCTTCTCCAAATAAAAAGACAAAGCAGGAAACTGTCACAGAGGGTGTAGTACCTCCTACCGATGAAAATATTGAAAACGGTACAAAACAACTACAATTATCGGAAGTGAAAAAAGAGGAGGGACCTAAAAAACTAGGGAAGATTTCTTTAGTCGGAAGTGGTCCAGGCTCGGTATCTATGCTAACGATAGGTGCATTACAAGAAATAAAGTCTGCAGATATAATACTGGCAGATAAACTGGTACCGCAAGCCATTTTAGATTTAATACCTCCAAAAACTGAAACCTTCATAGCCAAAAAATTTCCCGGTAATGCAGAACGAGCACAACAGGAATTACTAGCTAAAGGTTTAGAATCGTTGGATAATGGATTGAAAGTAGTCCGTTTGAAGCAAGGTGATCCGTATATTTTTGGCCGTGGTGGCGAGGAATTTAATTTCTTCAAAGATCACGGATATATTCCTGTGGTTTTACCGGGCATAAGCTCATCCCTAGCTTGTACTGTATTGGCTCAGATACCCGCTACTCAACGTGATATAGCAGACCAAGTGCTCATATGTACTGGGACTGGGAGAAAGGGCGCTCTGCCTATAATTCCTGAATTTGTTGAAAGCAGAACCACCGTCTTTCTAATGGCACTGCATCGCGCCAACGTTCTGATCACGGGATTATTGAAGCATGGCTGGGATGGTGATGTCCCCGCTGCAATTGTCGAGAGAGGATCGTGCCCTGACCAGCGTGTTACTAGAACTCTTCTTAAATGGGTACCAGAAGTCGTGGAGGAGATTGGTTCAAGGCCCCCCGGTGTCTTGGTTGTAGGCAAGGCTGTGAATGCATTGGTTGAAAAAGATCTGATAAATTTTGACGAATCAAGAAAATTTGTCATTGATGAAGGTTTTAGAGAATTTGAGGTTGATGTAGATAGTCTATTTAAGTTATACTAA","protein_sequence":"MVRDLVTLPSSLPLITAGFATDQVHLLIGTGSTDSVSVCKNRIHSILNAGGNPIVVNPSSPSHTKQLQLEFGKFAKFEIVEREFRLSDLTTLGRVLVCKVVDRVFVDLPITQSRLCEEIFWQCQKLRIPINTFHKPEFSTFNMIPTWVDPKGSGLQISVTTNGNGYILANRIKRDIISHLPPNISEVVINMGYLKDRIINEDHKALLEEKYYQTDMSLPGFGYGLDEDGWESHKFNKLIREFEMTSREQRLKRTRWLSQIMEYYPMNKLSDIKLEDFETSSSPNKKTKQETVTEGVVPPTDENIENGTKQLQLSEVKKEEGPKKLGKISLVGSGPGSVSMLTIGALQEIKSADIILADKLVPQAILDLIPPKTETFIAKKFPGNAERAQQELLAKGLESLDNGLKVVRLKQGDPYIFGRGGEEFNFFKDHGYIPVVLPGISSSLACTVLAQIPATQRDIADQVLICTGTGRKGALPIIPEFVESRTTVFLMALHRANVLITGLLKHGWDGDVPAAIVERGSCPDQRVTRTLLKWVPEVVEEIGSRPPGVLVVGKAVNALVEKDLINFDESRKFVIDEGFREFEVDVDSLFKLY"}]}