{"ymdb_id":"YMDB00400","created_at":"2011-05-29T18:13:05.000Z","updated_at":"2016-09-08T18:35:27.000Z","name":"4-Phosphopantothenoylcysteine","cas":"7196-09-0","state":"Solid","melting_point":"","description":"4-Phosphopantothenoylcysteine (PPC) is an intermediate in coenzyme A (CoA) biosynthesis pathway. Coenzyme A is a cofactor of ubiquitous occurrence in plants, bacteria, and animals. It is needed in a large number of enzymatic reactions central to intermediary metabolism, including the oxidation of fatty acids, carbohydrates, and amino acids. [Biocyc COA-PWY]","experimental_water_solubility":"","experimental_logp_hydrophobicity":"","location":"cytoplasm","synthesis_reference":null,"chebi_id":"15769","hmdb_id":"HMDB01117","kegg_id":"C04352","pubchem_id":"440304","cs_id":"389278","foodb_id":null,"wikipedia_link":null,"biocyc_id":"R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE","iupac":"(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid","traditional_iupac":"(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid","logp":"-1.966908166","pka":"3.492691096684799","alogps_solubility":"3.36e-01 g/l","alogps_logp":"-0.88","alogps_logs":"-3.08","acceptor_count":"8","donor_count":"7","rotatable_bond_count":"11","polar_surface_area":"182.48999999999998","refractivity":"87.40769999999999","polarizability":"36.250626263676736","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-3.810580264485595","pka_strongest_acidic":"1.7848516255104219","bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(R)-4'-phospho-N-pantothenoyl-L-cysteine","(R)-N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl]-L-Cysteine","(R)-N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-beta-alanyl]-L-Cysteine","4-P-N-pantothenoylcysteine","4'-P-N-pantothenoylcysteine","4'-phospho-N-pantothenoylcysteine","4'-Phosphopantothenoyl-L-cysteine","4'-phosphopantothenoylcysteine","N-((R)-4-phosphopantothenoyl)-L-cysteine","N-((R)-4'-phosphopantothenoyl)-L-cysteine","Pantothenoylcysteine 4'-phosphate"],"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":"2011-05-26T16:31:32.000Z","updated_at":"2011-05-26T16:31:32.000Z","name":"Uncharacterized protein YIL083C","uniprot_id":"P40506","uniprot_name":"YII3_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":365,"molecular_weight":"41892.69922","theoretical_pi":"8.55","general_function":"Coenzyme transport and metabolism","specific_function":null,"reactions":[{"id":2424,"direction":"\u003e","locations":null,"altext":"CTP + (R)-4'-phosphopantothenate + L-cysteine = CMP + PPi + N-((R)-4'-phosphopantothenoyl)-L-cysteine.","export":false,"pw_reaction_id":null,"source":null},{"id":3768,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006290","source":"Smpdb"},{"id":14220,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006658","source":"Smpdb"},{"id":14221,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006659","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":null,"genbank_gene_id":"Z46728","genbank_protein_id":"577131","gene_card_id":null,"chromosome_location":null,"locus":"YIL083C","synonyms":[],"enzyme_classes":["6.3.2.5"],"go_classes":[],"pfams":[{"name":"DFP","identifier":"PF04127"}],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"},{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"}],"gene_sequence":"ATGCCACCTCTACCCGTGCTCAACAGACCTCAAATTCATACGTCTGTTACTGAAATAAGTCATGCAATTGATCGTACAATCAAGGAAGAGCTCTTTCCCGTTGCCTACACTACTGAAGAAGAGCAATATTTCAAAACTAACCCTAAACCTGCCTATATCGATGAATTGATTAAGGACGCTAAAGAGTTTATTGATTTGCAGTATTCCCTGAAAAGGAACAAAATAGTTCTTATCACCTCTGGTGGTACTACTGTTCCATTGGAAAACAATACAGTACGTTTTATCGATAATTTTTCTGCAGGTACTCGTGGTGCATCGAGTGCTGAACAGTTCTTAGCGAACGGATATAGTGTTATTTTCTTACATAGGGAATTCTCATTAACTCCGTATAATAGGTCCTTCTCCCATAGCATTAATACTTTATTCTTGGACTACATTGATTCTGAAGGTAAAATCAAACCTGAATTTGCTGAGAATGTTTTGAAGAACAAAAAGCTTTATGACAAGTATATGGAGAAAGAGGAGAAACTACTTTTACTACCATTCACCACGGTCAACCAATACTTATGGTCACTGAAAAGTATAGCCAAGCTATTGAATAATAGTGGTTGCTTGTTTTATTTAGCTGCTGCTGTCAGTGATTTTTTTGTTCCATATTCAAGACTACCTCAGCACAAGATTCAATCAGGAGACAACGGTAAGATGGGAGCAAATAATGACACTGAAGGTACAACTAGGACTACGCCTGATGGTAAACTGATTGTGAATCTTGACCCTGTCCCTAAGTTTTTGAGAAGATTAGTGGAATCATGGGCCACTCAAGCGATGATCGTTTCGTTCAAATTAGAAACTGATGAATCCATGCTGCTTTACAAATGTACACAAGCCCTGGATAGATACAACCATCAACTGGTTATCGGAAACCTTTTACAGACAAGAAACAAACAGGTCATTTTCGTATCCCCTGAAAACAGAAAGGGAGATTGGGTACGTTTGGATGAAAAACACCATATCATTGAAGAGATGATAATCCCAGAAGTCATCGCACGCCATGACAAATGGGTGGCGCATTCGAAAACTAAGCTAGCTACGAAATAA","protein_sequence":"MPPLPVLNRPQIHTSVTEISHAIDRTIKEELFPVAYTTEEEQYFKTNPKPAYIDELIKDAKEFIDLQYSLKRNKIVLITSGGTTVPLENNTVRFIDNFSAGTRGASSAEQFLANGYSVIFLHREFSLTPYNRSFSHSINTLFLDYIDSEGKIKPEFAENVLKNKKLYDKYMEKEEKLLLLPFTTVNQYLWSLKSIAKLLNNSGCLFYLAAAVSDFFVPYSRLPQHKIQSGDNGKMGANNDTEGTTRTTPDGKLIVNLDPVPKFLRRLVESWATQAMIVSFKLETDESMLLYKCTQALDRYNHQLVIGNLLQTRNKQVIFVSPENRKGDWVRLDEKHHIIEEMIIPEVIARHDKWVAHSKTKLATK"},{"created_at":"2016-09-09T22:44:50.000Z","updated_at":"2016-09-09T22:44:51.000Z","name":"Phosphopantothenoylcysteine decarboxylase subunit SIS2","uniprot_id":"P36024","uniprot_name":"SIS2","enzyme":false,"transporter":false,"gene_name":"SIS2","num_residues":562,"molecular_weight":"62477.605","theoretical_pi":null,"general_function":"response to salt stress","specific_function":"Component of the phosphopantothenoylcysteine decarboxylase (PPCDC) involved in the coenzyme A synthesis. Acts as an inhibitory subunit of protein phosphatase PPZ1, which is involved in many cellular processes such as G1-S transition or salt tolerance. Also modulates the expression of the ENA1 ATPase.","reactions":[{"id":3769,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006291","source":"Smpdb"}],"signal_regions":null,"transmembrane_regions":null,"pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":null,"chromosome_location":null,"locus":null,"synonyms":["Halotolerance protein HAL3","Sit4 suppressor 2"],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"cytoplasm"},{"category":"Function","description":"CoA-synthesizing protein complex"},{"category":"Function","description":"phosphopantothenoylcysteine decarboxylase complex"},{"category":"Function","description":"phosphopantothenoylcysteine decarboxylase activity"},{"category":"Function","description":"protein phosphatase inhibitor activity"},{"category":"Function","description":"coenzyme A biosynthetic process"},{"category":"Function","description":"regulation of mitotic 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process"},{"category":"Function","description":"response to salt stress"},{"category":"Function","description":"purine nucleotide binding"},{"category":"Function","description":"CoA-synthesizing protein complex"}],"pfams":[],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGACGGATGAAAAAGTGAACTCAGATCAGAATATGAACGGTAAGCAGGGAGTTAACTTAATTTCATCCTTGCCTACAACACAAGTGCCGGTTTCAATTTTGACCAACAAGGAGAGAAGAAAAAGTATTCACGATGAATCAAATTTCGAAAGATCTGATAGTCATGAAGATCAATCAAAATCCAACTCTAATAGGAGGAATATTTACAAAAACGATTATAGCACAAATTTGAGGGATTTCTCTTTTGCCAATCTGAAGCAAAATAGTGAAAGGAACAAAGATGGCCATGAAATACAGATCAACACCAGTATGCCAGCTAATACAAATGGCCAGCAAAAAAGGTTTTCACCTTCATTACCTTCTGCTGTTTCATTTACGGTGCCCGAGGTGGAAAGGTTGCCGTATCATAGATATTCGATATCCAATAAACCTGGAAAGCAGCAGCAGCAGCAGGAACAACTGCAGCAAAATCAACAACAAGAAGAGCAGCAAAAGGCACAACTGCAGGAGCAAAATCAACGAGCAAAACAGCAAGAAGAGGTGAAGCAAATTCAGGAGCAAGTGCAAAAAAAGCAAACTGAAAGACAGCAACTGATAGACGAAAAGGAGAGGATAGCGAATGCAATATTTAAGGAGAACACTACTAATGATGGTACTGATATCAGGAAACATTCGGTATCGAGTGGTACGAGCAATAGCGAAGATGAAGTAGATTCACCTTCGATGGAAAAAAATTCTATCGTTCATATGCCAGGTGATTTTATCTACTTCAATCCCAAGTCAAACGCTTCTAAACCTATCACTGCAAAGGCGGCGCCATTATCGGCTAATAACTCCACACATAAAAACAAGGAAGTTATCACTGCACCCACAGGGCCTCGTGTACCCTTCACAGAGTTCTTTCAGAAGGAAGACGACAAGAAATTCCACATTCTCATTGGTGCGACGGGCTCAGTTGCCACAATAAAAGTACCTCTAATTATTGATAAACTTTTCAAGATATATGGGCCTGAGAAAATCTCTATTCAGTTGATTGTCACAAAACCCGCTGAGCATTTTTTGAAAGGGCTCAAAATGTCAACACACGTTAAAATTTGGAGGGAGGAAGACGCTTGGGTATTCGACGCTGTGAATAAGAATGATACTAGCTTGAGTCTGAACTTGATATTGCACCATGAATTAAGAAAATGGGCTGATATTTTCCTGATTGCGCCTTTGTCAGCTAACACACTTGCTAAACTGGCCAATGGTATATGTAACAATTTGCTAACTTCTGTGATGAGAGATTGGTCACCACTGACCCCAGTGTTGATTGCGCCTGCAATGAATACATTCATGTATATCAATCCTATGACAAAGAAACACCTGACGAGTTTAGTGCAAGACTATCCGTTCATCCAAGTTTTGAAACCGGTGGAAAAGGTATTAATATGCGGAGATATTGGTATGGGTGGTATGAGAGAATGGACAGATATTGTAGAGATCGTTAGGAGGAGAATCAATGAAATACGGAAAGCTAGGGACGAGGAAACTGGTGATAAAGAGCAAGAACAAGAAGAACAAGAGGGTGCTGACAATGAGGACGACGATGATGAGGATGACGAAGAGGATGAGGAGGACGAGGAGGAGGAAGAAGCTCTAAATGAAACAGCATCCGATGAGAGCAATGACGAGGAAGACGAAGAGGATGAGGAAGACGTGAAAACCGAAGTTTAA","protein_sequence":"MTDEKVNSDQNMNGKQGVNLISSLPTTQVPVSILTNKERRKSIHDESNFERSDSHEDQSKSNSNRRNIYKNDYSTNLRDFSFANLKQNSERNKDGHEIQINTSMPANTNGQQKRFSPSLPSAVSFTVPEVERLPYHRYSISNKPGKQQQQQEQLQQNQQQEEQQKAQLQEQNQRAKQQEEVKQIQEQVQKKQTERQQLIDEKERIANAIFKENTTNDGTDIRKHSVSSGTSNSEDEVDSPSMEKNSIVHMPGDFIYFNPKSNASKPITAKAAPLSANNSTHKNKEVITAPTGPRVPFTEFFQKEDDKKFHILIGATGSVATIKVPLIIDKLFKIYGPEKISIQLIVTKPAEHFLKGLKMSTHVKIWREEDAWVFDAVNKNDTSLSLNLILHHELRKWADIFLIAPLSANTLAKLANGICNNLLTSVMRDWSPLTPVLIAPAMNTFMYINPMTKKHLTSLVQDYPFIQVLKPVEKVLICGDIGMGGMREWTDIVEIVRRRINEIRKARDEETGDKEQEQEEQEGADNEDDDDEDDEEDEEDEEEEEALNETASDESNDEEDEEDEEDVKTEV"},{"created_at":"2016-09-09T22:50:32.000Z","updated_at":"2016-09-09T22:50:32.000Z","name":"Phosphopantothenoylcysteine decarboxylase subunit VHS3","uniprot_id":"Q08438","uniprot_name":"VHS3","enzyme":false,"transporter":false,"gene_name":"VHS3","num_residues":674,"molecular_weight":"73648.495","theoretical_pi":null,"general_function":"coenzyme A biosynthetic process","specific_function":"Component of the phosphopantothenoylcysteine decarboxylase (PPCDC) involved in the coenzyme A synthesis. Acts as an inhibitory subunit of protein phosphatase PPZ1, which is involved in many cellular processes such as G1-S transition or salt tolerance.","reactions":[{"id":3769,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006291","source":"Smpdb"}],"signal_regions":null,"transmembrane_regions":null,"pdb_id":null,"cellular_location":null,"genbank_gene_id":null,"genbank_protein_id":null,"gene_card_id":null,"chromosome_location":null,"locus":null,"synonyms":["Viable in a HAL3 SIT4 background protein 3"],"enzyme_classes":[],"go_classes":[{"category":"Function","description":"CoA-synthesizing protein complex"},{"category":"Function","description":"phosphopantothenoylcysteine decarboxylase complex"},{"category":"Function","description":"phosphopantothenoylcysteine decarboxylase activity"},{"category":"Function","description":"protein phosphatase inhibitor activity"},{"category":"Function","description":"coenzyme A biosynthetic process"},{"category":"Function","description":"cellular monovalent inorganic cation homeostasis"},{"category":"Function","description":"cell cycle"}],"pfams":[],"pathways":[{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGACAAACAAATCTAGCCTGAAGAACAATAGGAAAGGGGTTGCTTCGAATACTCTCTCTGGAGCTGAGCAGGCCAATATAGGTTCATCGGCAATGCCTGACACAAATTCTACGGGACCATTTTCTTCCGTTTCTAGTCTGGACACTCCTGTAGTAAGGAAATCAACTAGTCCCACTGGTTCACAAACTAAGTCAATCATGAATGCTAGCGGAACTTCTGGGGCAGTTGTAAGTAATACACCAGAGCCAGGGTTAAAAAGGATACCAACTGTTACATTCAGCGATCCAAAGTTGGGTAGTCTCAGGTCGGATGTGGAGCAAACTCCACCTAACCAGGTGGCCAGACAGTCCAGCGAAAAGAAAGCAACGTCTGTACACATCGCAGCGGAGGGTGCAAATCAAGGAAGAAACTTGAAAGACATAAATACAAAAGTACCAAAAGATGGCGAGGCTTCTGCTTCTTCTTTTTCGACTCCAACCTCTATTCTCTCCAATGCTGATATGGGGAATAACATATCCAGCCTGCTGGCTAAAAAGCTAAGTTTCACCGGTGGAACAGATTCTATTTTAAACTCTGACAATAGTTCCGATAGCCCCAGAAAGGAGCACCCACATTTCTACGTGGAAGATCCTTTACACACCCCATCAGTTAGATCAAGGTCTAACAGTACTAGTCCTCGCCCCTCTGTGGTAGTGAATACATTTAACCCCATCAACATTGAACGAGAGGGCTCCATATCAAAGACTGGAGAGCCCACATTGTTGGAGTCTGTCTTGGAAGAAGCAATGTCTCCCAATGCAGTCTCAAATCCCTTGAAGAGAGAAAATATTATGACCAATATGGATCCAAGGCTTCCCCAAGATGACGGCAAGCTACACGTTCTTTTTGGGGCAACAGGTTCTTTGTCTGTTTTCAAACTCAAGCACATGATCAGAAAATTAGAAGAAATTTACGGAAGGGACAAAATATGCATACAAGTTATACTAACTAACTCAGCAACCAAATTTTTTGCAATGAAGTATATGAGGAAAAATAAGAAACAACACAATAGTATCGATACTTCTTTCAACAGCACCAATTCTAATGCTGGCAATATAACTGGTAACAAGAAAAAAGTAGCCTCTCTTGAAAAATTTAGCATTCAGAAGACGTCTTCAAACTCAGCGGCTTCTCAGACAAATAATAAACAGGAGGAAGAAAAACAAATGGCCTCTACTACTGGATTTCCTTCGACACTTGGTGGTAGTCGTACGTACAGCAACTCTTCAAACGTTGTATCGCAACATCCTCAAATTGAACTGCCAGCACATATACAATTTTGGACAGACCAAGACGAGTGGGATGTATGGCGACAACGAACTGATCCTGTATTACACATAGAACTACGTCGTTGGGCAGATATACTAGTTGTCGCACCATTAACCGCAAACACGTTGGCCAAGATTGCCCTTGGTTTATGTGACAACCTTTTGACAAGTGTAATAAGGGCATGGAATCCAACGTTTCCCATATTCCTAGCGCCTTCAATGGGTAGCGGTACGTTCAATTCCATAATGACTAAAAAACATTTTCGAATTATTCAAGAAGAGATGCCTTGGGTAACTGTATTTAAACCCTCAGAAAAAGTCATGGGCATAAACGGTGACATCGGGTTAAGTGGGATGATGGATGCAAATGAGATTGTTGGCAAGATAGTCGTCAAACTAGGTGGTTATCCCGATGTTTCTGCGGGAAAGGAAGAAGAAGAGGATGAAGATAACGATGAGGAGGATGATAATAAGAAGAACGATACTGGTGGTAAAGATGAAGATAATGACGACGACGACGATGACGATGATGATGATGACGATGATGACGACGACGACGACGACGACGACGACGACGACGACGACGATGATGATGATGACGACGATGATGACGACGATGATGACGACGACGACGACGACGATGAAGATGACGAAGACGAAGATGAAGACGATGAAGGAAAAAAGAAAGAAGATAAAGGAGGGCTACAGCGATCTTAA","protein_sequence":"MTNKSSLKNNRKGVASNTLSGAEQANIGSSAMPDTNSTGPFSSVSSLDTPVVRKSTSPTGSQTKSIMNASGTSGAVVSNTPEPGLKRIPTVTFSDPKLGSLRSDVEQTPPNQVARQSSEKKATSVHIAAEGANQGRNLKDINTKVPKDGEASASSFSTPTSILSNADMGNNISSLLAKKLSFTGGTDSILNSDNSSDSPRKEHPHFYVEDPLHTPSVRSRSNSTSPRPSVVVNTFNPINIEREGSISKTGEPTLLESVLEEAMSPNAVSNPLKRENIMTNMDPRLPQDDGKLHVLFGATGSLSVFKLKHMIRKLEEIYGRDKICIQVILTNSATKFFAMKYMRKNKKQHNSIDTSFNSTNSNAGNITGNKKKVASLEKFSIQKTSSNSAASQTNNKQEEEKQMASTTGFPSTLGGSRTYSNSSNVVSQHPQIELPAHIQFWTDQDEWDVWRQRTDPVLHIELRRWADILVVAPLTANTLAKIALGLCDNLLTSVIRAWNPTFPIFLAPSMGSGTFNSIMTKKHFRIIQEEMPWVTVFKPSEKVMGINGDIGLSGMMDANEIVGKIVVKLGGYPDVSAGKEEEEDEDNDEEDDNKKNDTGGKDEDNDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDDEDDEDEDEDDEGKKKEDKGGLQRS"}]}