{"ymdb_id":"YMDB00585","created_at":"2011-05-29T18:33:15.000Z","updated_at":"2016-09-08T18:35:39.000Z","name":"4-guanidinobutanoic acid","cas":"463-00-3","state":"Solid","melting_point":null,"description":"4-Guanidinobutanoic acid is an intermediate in arginine degradation pathway. [Biocyc ARGDEG-V-PWY]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"cytoplasm","synthesis_reference":"Pisano, John J.; Mitoma, Chozo; Udenfriend, Sidney.  Biosynthesis of g-guanidinobutyric acid from g-aminobutyric acid and arginine.    Nature (London, United Kingdom)  (1957),  180  1125-6.","chebi_id":"15728","hmdb_id":"HMDB03464","kegg_id":"C01035","pubchem_id":"500","cs_id":"486","foodb_id":null,"wikipedia_link":null,"biocyc_id":"CPD-592","iupac":"4-[(diaminomethylidene)amino]butanoic acid","traditional_iupac":"4-[(diaminomethylidene)amino]butanoic acid","logp":"-2.654531034416961","pka":null,"alogps_solubility":"2.78e+00 g/l","alogps_logp":"-1.52","alogps_logs":"-1.72","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"4","polar_surface_area":"101.69999999999999","refractivity":"35.879599999999996","polarizability":"14.705032842824645","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"12.068589169762964","pka_strongest_acidic":"4.23994567518324","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-((amino(imino)methyl)amino)butanoic acid","4-(carbamimidamido)butanoate","4-(carbamimidamido)butanoic acid","4-Guanidinobutanoate","4-guanidinobutanoic acid","4-Guanidinobutyrate","4-Guanidinobutyric acid","Butanoic acid, {4-[(aminoiminomethyl)amino]-}","gamma-Guanidinobutyrate","gamma-Guanidinobutyric acid"],"pathways":[{"name":"Arginine and proline metabolism","kegg_map_id":"00330"}],"growth_conditions":[],"references":[{"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":"2011-05-24T19:29:59.000Z","updated_at":"2011-07-22T17:54:11.000Z","name":"Glutamyl-tRNA(Gln) amidotransferase subunit A, mitochondrial","uniprot_id":"Q03557","uniprot_name":"GATH_YEAST","enzyme":true,"transporter":false,"gene_name":"HER2","num_residues":464,"molecular_weight":"50918.0","theoretical_pi":"8.84","general_function":"Involved in carbon-nitrogen ligase activity, with glutamine as amido-N-donor","specific_function":"Furnishes a means for formation of correctly charged Gln-tRNA(Gln) through the transamidation of misacylated Glu- tRNA(Gln) in the mitochondria. The reaction takes place in the presence of glutamine and ATP through an activated gamma-phospho- Glu-tRNA(Gln). Required for HMG2-induced ER-remodeling","reactions":[{"id":1319,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2257,"direction":"\u003e","locations":"Mitochondrion","altext":"ATP + L-glutamyl-tRNA(Gln) + L-glutamine = ADP + phosphate + L-glutaminyl-tRNA(Gln) + L-glutamate.","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion","genbank_gene_id":"X80836","genbank_protein_id":"530350","gene_card_id":"HER2","chromosome_location":"chromosome 13","locus":"YMR293C","synonyms":["Glu-ADT subunit A","HMG2-induced ER-remodeling protein 2","Loss of respiratory capacity protein 6"],"enzyme_classes":["6.3.5.-"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" ligase activity"},{"category":"Function","description":" ligase activity, forming carbon-nitrogen bonds"},{"category":"Function","description":" carbon-nitrogen ligase activity, with glutamine as amido-N-donor"},{"category":"Process","description":" translation"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"},{"category":"Process","description":" macromolecule biosynthetic process"},{"category":"Process","description":" cellular macromolecule biosynthetic process"}],"pfams":[{"name":"Amidase","identifier":"PF01425"}],"pathways":[],"gene_sequence":"ATGCCACTGAAACGCTCCTTAAAAGAATCAATCGAAAGATTATCTAGTTTTCAATCAAAATATAATATTTTCACTAGTATCAATCCATCTCCTTATTCAATCACAAATAAAAAAGGTACAAAAGAAACATTGACAGGTTGCGTTGCCAGTATCAAGGATAATATAGTTACAAAAGATTTTCCAACCACATGTGCCTCACATATACTTGAGAATTTCAAGTCTCCCTTCGATGCAACAGTAGTGAAACTATTAAAACAGGCAGGAGTGCATATCTTAGGCAAGACAAATTTAGATGAATTTGGAATGGGTTCTGGGGGAGTACATTCAATAAGAGGGCCCGTAATTAACCCTTTATATCCTCATGAGGACAAGAAGATCATGGGAGGTTCATCGTCTGGAGCCGCTGCAAGCGTTGCTTGCGATCTAGTCGATTTTGCCTTGGGAACAGATACTGGTGGCTCCGTTAGGCTCCCCGCATGCTATGGATCTGTTTTAGGATTCAAGCCGTCCTATGGACGGTTGTCAAGATTTGGCGTAATAGCGTATTCTCAATCTTTAGACACTGTTGGCATACTTAGCAAAAAGATAAACGTCTTGCGAAAAGTATTTCATACGCTCGATAAATATGACATGAAAGATCCCACTTCCTTAAGTGTGGAATTGCGTGAATTGATAGAAGGGAATAAAAAGGTTAGGAGACCTTTAAAGGTAGGAATTGTAAAGGAATTTAGCCATGAAAGTATGCCCATTGGGTTCCACAGATTATATTTATCCTTACTAGAAAAGCTGATAAATTTAGGGCTTGAAATATACCCTGTATCCATTCCATCTGTAAAAAACTGTTTACCGATTTATTATACGCTATCACCCGCTGAAGCGGCTTCCAATTTATCAAGGTATGATGGTATCAGATATGGATACAGAGATTCAGAACTCGATATAAAAGACGGTATTTTATTCGCACCTACTAGGTCCAAATTCGGAACAGAAGTTAAGAATAGAATCATTCTAGGTAATTATAATCTTTGTTCAGATGCATTTAAGAACAATTTTATTAAGGCAGAAAAGCTACGAGTTAATTTGATCGATGAATTTGACGGGATCTTCAGATTTCCAAATGTTTTAACTAATTCTAAGGGAAATCCAGACGGCCTAGATCTACTGATAGTTCCCACATCGTCCAAGCTTCCTGGATCCATAAGGGACTTCGAAGAAGAGGAAGCCAAATCTCCGGCTAACTCGTATATAAACGATGTCTTTACTGTCCCAATGTCATTGGCTGGACTACCAAGTTTATCAATGCCTTTAAAAGAGAAGACCCCGATTGGCTTACAGGTAGTAGGTCAATATGGTGATGATTCCACTGTGTTAGATTTTGTCGAGTCAATATCATAA","protein_sequence":"MPLKRSLKESIERLSSFQSKYNIFTSINPSPYSITNKKGTKETLTGCVASIKDNIVTKDFPTTCASHILENFKSPFDATVVKLLKQAGVHILGKTNLDEFGMGSGGVHSIRGPVINPLYPHEDKKIMGGSSSGAAASVACDLVDFALGTDTGGSVRLPACYGSVLGFKPSYGRLSRFGVIAYSQSLDTVGILSKKINVLRKVFHTLDKYDMKDPTSLSVELRELIEGNKKVRRPLKVGIVKEFSHESMPIGFHRLYLSLLEKLINLGLEIYPVSIPSVKNCLPIYYTLSPAEAASNLSRYDGIRYGYRDSELDIKDGILFAPTRSKFGTEVKNRIILGNYNLCSDAFKNNFIKAEKLRVNLIDEFDGIFRFPNVLTNSKGNPDGLDLLIVPTSSKLPGSIRDFEEEEAKSPANSYINDVFTVPMSLAGLPSLSMPLKEKTPIGLQVVGQYGDDSTVLDFVESIS"}]}