Reaction Details Report a problem with these data
Target
Phenylalanine--tRNA ligase alpha/beta subunit
Ligand
BDBM231669
Substrate
n/a
Meas. Tech.
Aminoacylation Assay
pH
8±n/a
IC50
1e+2±n/a nM
Comments
extracted
Citation
 Abibi, A; Ferguson, AD; Fleming, PR; Gao, N; Hajec, LI; Hu, J; Laganas, VA; McKinney, DC; McLeod, SM; Prince, DB; Shapiro, AB; Buurman, ET The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability. J Biol Chem 289:21651-62 (2014) [PubMed]  Article 
Target
Name:
Phenylalanine--tRNA ligase alpha/beta subunit
Synonyms:
Phenylalanyl-tRNA synthetase (PheRS)
Type:
Enzyme
Mol. Mass.:
n/a
Description:
E. coli PheRS
Components:
This complex has 2 components.
Component 1
Name:
Phenylalanine--tRNA ligase alpha subunit
Synonyms:
Phenylalanyl-tRNA synthetase alpha subunit (PheRS) | SYFA_ECOLI | pheS
Type:
Enzyme
Mol. Mass.:
36828.85
Organism:
Escherichia coli (Enterobacteria)
Description:
P08312
Residue:
327
Sequence:
MSHLAELVASAKAAISQASDVAALDNVRVEYLGKKGHLTLQMTTLRELPPEERPAAGAVINEAKEQVQQALNARKAELESAALNARLAAETIDVSLPGRRIENGGLHPVTRTIDRIESFFGELGFTVATGPEIEDDYHNFDALNIPGHHPARADHDTFWFDTTRLLRTQTSGVQIRTMKAQQPPIRIIAPGRVYRNDYDQTHTPMFHQMEGLIVDTNISFTNLKGTLHDFLRNFFEEDLQIRFRPSYFPFTEPSAEVDVMGKNGKWLEVLGCGMVHPNVLRNVGIDPEVYSGFAFGMGMERLTMLRYGVTDLRSFFENDLRFLKQFK
  
Component 2
Name:
Phenylalanine--tRNA ligase beta subunit
Synonyms:
Phenylalanyl-tRNA synthetase beta subunit (PheRSβ) | SYFB_ECOLI | pheT
Type:
Enzyme
Mol. Mass.:
87356.43
Organism:
Escherichia coli (Enterobacteria)
Description:
P07395
Residue:
795
Sequence:
MKFSELWLREWVNPAIDSDALANQITMAGLEVDGVEPVAGSFHGVVVGEVVECAQHPNADKLRVTKVNVGGDRLLDIVCGAPNCRQGLRVAVATIGAVLPGDFKIKAAKLRGEPSEGMLCSFSELGISDDHSGIIELPADAPIGTDIREYLKLDDNTIEISVTPNRADCLGIIGVARDVAVLNQLPLVQPEIVPVGATIDDTLPITVEAPEACPRYLGRVVKGINVKAPTPLWMKEKLRRCGIRSIDAVVDVTNYVLLELGQPMHAFDKDRIEGGIVVRMAKEGETLVLLDGTEAKLNADTLVIADHNKALAMGGIFGGEHSGVNDETQNVLLECAFFSPLSITGRARRHGLHTDASHRYERGVDPALQHKAMERATRLLIDICGGEAGPVIDITNEATLPKRATITLRRSKLDRLIGHHIADEQVTDILRRLGCEVTEGKDEWQAVAPSWRFDMEIEEDLVEEVARVYGYNNIPDEPVQASLIMGTHREADLSLKRVKTLLNDKGYQEVITYSFVDPKVQQMIHPGVEALLLPSPISVEMSAMRLSLWTGLLATVVYNQNRQQNRVRIFESGLRFVPDTQAPLGIRQDLMLAGVICGNRYEEHWNLAKETVDFYDLKGDLESVLDLTGKLNEVEFRAEANPALHPGQSAAIYLKGERIGFVGVVHPELERKLDLNGRTLVFELEWNKLADRVVPQAREISRFPANRRDIAVVVAENVPAADILSECKKVGVNQVVGVNLFDVYRGKGVAEGYKSLAISLILQDTSRTLEEEEIAATVAKCVEALKERFQASLRD
  
Inhibitor
Name:
BDBM231669
Synonyms:
2-[3-[(4-Chloro-2-pyridyl)amino]phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide (2c)
Type:
Small organic molecule
Emp. Form.:
C17H18ClN3O4S
Mol. Mass.:
395.861
SMILES:
Clc1ccnc(Nc2cccc(OCC(=O)NC3CCS(=O)(=O)C3)c2)c1
Structure:
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