{"ymdb_id":"YMDB00308","created_at":"2011-05-29T18:04:40.000Z","updated_at":"2016-09-08T18:35:19.000Z","name":"Pantetheine 4'-phosphate","cas":"2226-71-3","state":"Solid","melting_point":null,"description":"4'-Phosphopantetheine is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It is an essential prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. [Wikipedia]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"","location":"mitochondrion;cytoplasm","synthesis_reference":"Masuda, Toru; Fujii, Shoichiro; Takanohashi, Kunio.  Pantetheine 4'-phosphate.    Jpn. Tokkyo Koho  (1971),     3 pp.","chebi_id":"16858","hmdb_id":"HMDB01416","kegg_id":"C01134","pubchem_id":"987","cs_id":"962","foodb_id":null,"wikipedia_link":"Phosphopantetheine","biocyc_id":"PANTETHEINE-P","iupac":"[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid","traditional_iupac":"pantetheine 4'-phosphate","logp":"-1.6568477619999993","pka":"6.817068654191102","alogps_solubility":"3.75e-01 g/l","alogps_logp":"-0.71","alogps_logs":"-2.98","acceptor_count":"6","donor_count":"6","rotatable_bond_count":"10","polar_surface_area":"145.19","refractivity":"81.5778","polarizability":"34.27934848627687","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-1.4571278450461933","pka_strongest_acidic":"1.7938632272564767","bioavailability":"1","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4'-Phosphopantetheine","4'-phosphopantotheine","D-Pantetheine 4'-phosphate","Pantetheine 4'-phosphate","Pantetheine 4'-phosphic acid","pantotheine-4'-phosphate","phospho-pantotheine","Phosphopantetheine"],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"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":"2011-05-26T16:08:08.000Z","updated_at":"2011-07-22T17:53:56.000Z","name":"Mitochondrial holo-[acyl-carrier-protein] synthase","uniprot_id":"Q12036","uniprot_name":"PPT2_YEAST","enzyme":true,"transporter":false,"gene_name":"PPT2","num_residues":173,"molecular_weight":"19973.0","theoretical_pi":"8.57","general_function":"Involved in magnesium ion binding","specific_function":"Transfers the 4'-phosphopantetheine moiety from coenzyme A to a Ser of mitochondrial acyl-carrier-protein","reactions":[{"id":1248,"direction":"\u003e","locations":"mitochondrion","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2412,"direction":"\u003e","locations":"Mitochondrion (Probable)","altext":"CoA-(4'-phosphopantetheine) + apo-[acyl-carrier-protein] = adenosine 3',5'-bisphosphate + holo-[acyl-carrier-protein].","export":false,"pw_reaction_id":null,"source":null}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Mitochondrion (Probable)","genbank_gene_id":"AY558134","genbank_protein_id":"45270158","gene_card_id":"PPT2","chromosome_location":"chromosome 16","locus":"YPL148C","synonyms":["Mitochondrial holo-ACP synthase","4'-phosphopantetheinyl transferase PPT2","PPTase"],"enzyme_classes":["2.7.8.7"],"go_classes":[{"category":"Component","description":" organelle"},{"category":"Component","description":" membrane-bounded organelle"},{"category":"Component","description":" intracellular membrane-bounded organelle"},{"category":"Component","description":" mitochondrion"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" phosphotransferase activity, for other substituted phosphate groups"},{"category":"Function","description":" binding"},{"category":"Function","description":" holo-[acyl-carrier-protein] synthase activity"},{"category":"Function","description":" ion binding"},{"category":"Function","description":" cation binding"},{"category":"Function","description":" metal ion binding"},{"category":"Function","description":" magnesium ion binding"},{"category":"Process","description":" organic acid metabolic process"},{"category":"Process","description":" oxoacid metabolic process"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" carboxylic acid metabolic process"},{"category":"Process","description":" macromolecule metabolic process"},{"category":"Process","description":" macromolecule modification"},{"category":"Process","description":" protein modification process"},{"category":"Process","description":" monocarboxylic acid metabolic process"},{"category":"Process","description":" biosynthetic process"},{"category":"Process","description":" fatty acid metabolic process"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" fatty acid biosynthetic process"},{"category":"Process","description":" macromolecule biosynthetic process"},{"category":"Process","description":" post-translational protein modification"},{"category":"Process","description":" protein-cofactor linkage"}],"pfams":[{"name":"ACPS","identifier":"PF01648"}],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"gene_sequence":"ATGCCTCCAGTGATGAGTTTTGCATCGAGGAATATTGGACGTAAGATAGCAGGAGTGGGAGTTGACATTGTATACTTGCCAAGATTTGCACATATACTAGAGAAATATTCCCCATTCGACCCATGTGGCCGTTCTACCTTGAATAAAATAACACGGAAGTTCATGCATGAAAAGGAAAGATTTCATTTCAGTAATCTTCTCATCGAAGAAAACTGCTTAACTCCACGATTGCATGAATATATAGCGGGAGTTTGGGCTTTGAAGGAATGCTCATTGAAAGCGTTGTGTTGCTGTGTTTCAAAGCATGATCTACCTCCTGCCCAAGTACTGTACGCTGGAATGCTATATAAAACACAAACCGATACAGGTGTACCTCAGTTAGAGTTTGATAAGATGTTTGGAAAAAAGTATCCAAAGTATCAACAGCTCTCGAAAAACTACGATTCTCTCTTTTCCACTCATGAGTTTTTAGTTTCGCTATCCCATGATAAAGATTATTTAATTGCAGTAACAAACTTGGTAGAAAGAGAGTAA","protein_sequence":"MSFASRNIGRKIAGVGVDIVYLPRFAHILEKYSPFDPCGRSTLNKITRKFMHEKERFHFSNLLIEENCLTPRLHEYIAGVWALKECSLKALCCCVSKHDLPPAQVLYAGMLYKTQTDTGVPQLEFDKMFGKKYPKYQQLSKNYDSLFSTHEFLVSLSHDKDYLIAVTNLVERE"},{"created_at":"2011-05-26T21:07:36.000Z","updated_at":"2011-05-26T21:07:36.000Z","name":"Uncharacterized protein YGR277C","uniprot_id":"P53332","uniprot_name":"YG5T_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":305,"molecular_weight":"34306.30078","theoretical_pi":"6.28","general_function":"Involved in nucleotidyltransferase activity","specific_function":null,"reactions":[{"id":2604,"direction":"\u003e","locations":null,"altext":"ATP + pantetheine 4'-phosphate = diphosphate + 3'-dephospho-CoA.","export":false,"pw_reaction_id":null,"source":null},{"id":3770,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006292","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"AY692609","genbank_protein_id":"51012669","gene_card_id":null,"chromosome_location":null,"locus":"YGR277C","synonyms":[],"enzyme_classes":["2.7.7.3"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Function","description":" nucleotidyltransferase activity"},{"category":"Process","description":" metabolic process"},{"category":"Process","description":" biosynthetic process"}],"pfams":[{"name":"CTP_transf_2","identifier":"PF01467"}],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGGTTGAGGAAAATTCCAGAGTTTTGATTGTTCTTCCTTATACACCGCCTAGTGCTACTTTGCAGAGGATTATAGGGCAAACTATTCCGTTCTTAAGAGAATGTCAAAGTCAACTAGACATCGTGATTGTACCTGAATTCAAAACCTCATTCCAGTTGGATTCTGCGCTAGGGAAGATGTACAGTATTACCAGGGATGTCCTTTTGGGCTATGGAATGATCAACAGCGGAATCAACATCATATTCAACAATATTCATTTCGTCGAGAGTAATTTGCAATGGAAAGTGGTTTTATTGCCACAGGAATCCACTTTTGAAACTTGGAAGCTAGAGTTGGGACAAGGACAATACCATAGTATAGAACATTATGCATTACACGATAATATAATGGAAGAGATAGAAGGTCCCAAAGATGCTAACAAATTTCATGTCACCGCATTGGGCGGAACGTTCGACCACATTCACGATGGACATAAAATATTGTTGAGCGTCTCTACATTCATCACGTCACAAAGGTTAATTTGTGGAATTACGTGCGATGAGCTCTTGCAAAACAAGAAATACAAAGAGTTGATTGAACCTTATGATACACGATGCAGGCACGTACATCAATTCATCAAGTTGTTAAAACCGGATCTCTCCGTAGAACTAGTTCCCTTAAGGGACGTGTGCGGCCCCACAGGGAAAGTACCCGAGATAGAATGTTTAGTTGTGAGTAGAGAAACCGTCAGTGGGGCAGAGACTGTGAATAAGACTAGGATTGAAAAAGGCATGAGCCCATTGGCAGTACATGTGGTTAATGTACTTGGAGGAAGGGAGGAAGACGGCTGGAGCGAGAAGTTAAGCAGCACGGAAATCAGACGCCTACTTAAGTCCTCTGCTTCGCCAACGTGCACTCCACAAAACCCTTGCGTATAA","protein_sequence":"MVEENSRVLIVLPYTPPSATLQRIIGQTIPFLRECQSQLDIVIVPEFKTSFQLDSALGKMYSITRDVLLGYGMINSGINIIFNNIHFVESNLQWKVVLLPQESTFETWKLELGQGQYHSIEHYALHDNIMEEIEGPKDANKFHVTALGGTFDHIHDGHKILLSVSTFITSQRLICGITCDELLQNKKYKELIEPYDTRCRHVHQFIKLLKPDLSVELVPLRDVCGPTGKVPEIECLVVSRETVSGAETVNKTRIEKGMSPLAVHVVNVLGGREEDGWSEKLSSTEIRRLLKSSASPTCTPQNPCV"}]}