{"ymdb_id":"YMDB00272","created_at":"2011-05-29T18:00:53.000Z","updated_at":"2016-09-08T18:35:16.000Z","name":"D-4'-Phosphopantothenate","cas":null,"state":"Solid","melting_point":"","description":"D-4'-Phosphopantothenate 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":"15905","hmdb_id":"HMDB01016","kegg_id":"C03492","pubchem_id":"41635","cs_id":"128","foodb_id":null,"wikipedia_link":null,"biocyc_id":"4-P-PANTOTHENATE","iupac":"3-{2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido}propanoic acid","traditional_iupac":"3-{2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido}propanoic acid","logp":"-1.4789411379999997","pka":"4.470966071472556","alogps_solubility":"8.51e+00 g/l","alogps_logp":"-2.14","alogps_logs":"-1.55","acceptor_count":"7","donor_count":"5","rotatable_bond_count":"8","polar_surface_area":"153.39000000000001","refractivity":"62.384","polarizability":"26.598691141327","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-3.8105850375874377","pka_strongest_acidic":"1.792709595064899","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(R)-4'-phosphopantothenate","4'-P-Pantothenate","4'-phosphopantothenate","D-4'-Phosphopantothenate","D-4'-Phosphopantothenic acid"],"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."}],"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":"2011-05-26T21:09:50.000Z","updated_at":"2011-05-26T21:09:50.000Z","name":"Pantothenate kinase","uniprot_id":"Q04430","uniprot_name":"PANK_YEAST","enzyme":true,"transporter":false,"gene_name":null,"num_residues":367,"molecular_weight":"40902.89844","theoretical_pi":"6.35","general_function":"Involved in pantothenate kinase activity","specific_function":"Plays a role in the physiological regulation of the intracellular CoA concentration","reactions":[{"id":1830,"direction":"\u003e","locations":"cytoplasm","altext":null,"export":true,"pw_reaction_id":null,"source":null},{"id":2605,"direction":"\u003e","locations":"Cytoplasm. Nucleus","altext":"ATP + (R)-pantothenate = ADP + (R)-4'-phosphopantothenate.","export":false,"pw_reaction_id":null,"source":null},{"id":3766,"direction":null,"locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006289","source":"Smpdb"},{"id":3767,"direction":"\u003e","locations":null,"altext":null,"export":true,"pw_reaction_id":"PW_R006657","source":"Smpdb"}],"signal_regions":"None","transmembrane_regions":"None","pdb_id":null,"cellular_location":"Cytoplasm. Nucleus","genbank_gene_id":"U33057","genbank_protein_id":"927798","gene_card_id":null,"chromosome_location":null,"locus":"YDR531W","synonyms":["Pantothenic acid kinase"],"enzyme_classes":["2.7.1.33"],"go_classes":[{"category":"Component","description":" Not Available"},{"category":"Function","description":" binding"},{"category":"Function","description":" nucleoside binding"},{"category":"Function","description":" purine nucleoside binding"},{"category":"Function","description":" adenyl nucleotide binding"},{"category":"Function","description":" adenyl ribonucleotide binding"},{"category":"Function","description":" ATP binding"},{"category":"Function","description":" kinase activity"},{"category":"Function","description":" catalytic activity"},{"category":"Function","description":" transferase activity"},{"category":"Function","description":" pantothenate kinase activity"},{"category":"Function","description":" transferase activity, transferring phosphorus-containing groups"},{"category":"Process","description":" cellular metabolic process"},{"category":"Process","description":" cofactor metabolic process"},{"category":"Process","description":" coenzyme metabolic process"},{"category":"Process","description":" coenzyme biosynthetic process"},{"category":"Process","description":" coenzyme A biosynthetic process"},{"category":"Process","description":" metabolic process"}],"pfams":[{"name":"Fumble","identifier":"PF03630"}],"pathways":[{"name":"Pantothenate and CoA biosynthesis","kegg_map_id":"00770"},{"name":"beta-Alanine metabolism","kegg_map_id":"00410"}],"gene_sequence":"ATGCCGCGAATTACTCAAGAGATATCTTACAATTGCGATTATGGCGACAATACTTTCAACCTTGCTATTGATATAGGAGGCACTCTGGCTAAAGTAGTCTTCTCGCCTATACACAGTAACAGGCTGATGTTCTACACCATTGAAACAGAGAAAATTGACAAGTTCATGGAACTTCTGCATTCTATTATCAAAGAACATAACAATGGATGCTATAGAATGACTCATATAATTGCCACTGGTGGTGGCGCCTTCAAGTTTTATGATTTGTTGTATGAAAATTTTCCTCAAATAAAAGGTATATCGAGGTTCGAAGAAATGGAAGGCTTAATTCACGGTTTAGACTTTTTCATTCATGAGATTCCCGATGAAGTTTTCACTTACAACGATCAAGATGGCGAAAGGATAATACCCACCAGTTCCGGCACCATGGACTCAAAGGCTATCTACCCATACCTTCTAGTCAATATAGGGTCGGGTGTCTCAATATTAAAAGTCACCGAACCAAACAATTTTAGTAGAGTAGGCGGTTCTTCACTGGGAGGAGGAACTCTTTGGGGCCTATTATCACTAATTACTGGCGCTCAAACTTATGATCAGATGCTCGATTGGGCACAAGAGGGTGACAATTCTAGCGTTGATATGCTAGTTGGAGATATTTATGGAACAGACTATAATAAAATTGGTCTAAAGTCGTCAGCTATTGCAAGTTCATTTGGTAAAGTTTTCCAAAATAGAATGACATCTAACAAATCTTTGGAAAACAACGAAAATAAATTATATTCCTCACATGAGTCTATTGAGAAAAACAATGGACAAATGTTTAAGAATCCTGATATTTGTAAAAGTCTTCTATTCGCCATCTCCAACAATATTGGGCAAATAGCTTATTTGCAAGCTAAAATCAATAATATACAGAATATATACTTTGGCGGATCTTATACCAGAGGACATTTGACTACCATGAACACTTTGAGCTACGCTATTAATTTTTGGTCACAAGGATCAAAGCAAGCGTTTTTTCTCAAACATGAAGGCTATTTGGGTGCAATGGGTGCTTTCCTAAGCGCGTCTCGTCATTCATCTACTAAGAAAACAAGTACGTAG","protein_sequence":"MPRITQEISYNCDYGDNTFNLAIDIGGTLAKVVFSPIHSNRLMFYTIETEKIDKFMELLHSIIKEHNNGCYRMTHIIATGGGAFKFYDLLYENFPQIKGISRFEEMEGLIHGLDFFIHEIPDEVFTYNDQDGERIIPTSSGTMDSKAIYPYLLVNIGSGVSILKVTEPNNFSRVGGSSLGGGTLWGLLSLITGAQTYDQMLDWAQEGDNSSVDMLVGDIYGTDYNKIGLKSSAIASSFGKVFQNRMTSNKSLENNENKLYSSHESIEKNNGQMFKNPDICKSLLFAISNNIGQIAYLQAKINNIQNIYFGGSYTRGHLTTMNTLSYAINFWSQGSKQAFFLKHEGYLGAMGAFLSASRHSSTKKTST"}]}