Reaction Details Report a problem with these data
Target
Phenylalanine--tRNA ligase alpha/beta subunit
Ligand
BDBM231665
Substrate
n/a
Meas. Tech.
Aminoacylation Assay
pH
8±n/a
IC50
22±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:
P. aeruginosa PheRS
Components:
This complex has 2 components.
Component 1
Name:
Phenylalanine--tRNA ligase alpha subunit
Synonyms:
Phenylalanyl-tRNA synthetase alpha subunit (PheRSα)
Type:
Enzyme
Mol. Mass.:
38058.59
Organism:
Pseudomonas aeruginosa
Description:
Q9I0A3
Residue:
338
Sequence:
MENLDALVSQALEAVRHTEDVNALEQIRVHYLGKKGELTQVMKTLGDLPAEERPKVGALINVAKEKVQDVLNARKTELEGAALAARLAAERIDVTLPGRGQLSGGLHPVTRTLERIEQCFSRIGYEVAEGPEVEDDYHNFEALNIPGHHPARAMHDTFYFNANMLLRTHTSPVQVRTMESQQPPIRIVCPGRVYRCDSDLTHSPMFHQVEGLLVDEGVSFADLKGTIEEFLRAFFEKQLEVRFRPSFFPFTEPSAEVDIQCVICSGNGCRVCKQTGWLEVMGCGMVHPNVLRMSNIDPEKFQGFAFGMGAERLAMLRYGVNDLRLFFDNDLRFLGQFR
  
Component 2
Name:
Phenylalanine--tRNA ligase beta subunit
Synonyms:
Phenylalanyl-tRNA synthetase beta subunit (PheRSβ) | SYFB_PSEAE | pheT
Type:
Enzyme
Mol. Mass.:
86782.17
Organism:
Pseudomonas aeruginosa
Description:
Q9I0A4
Residue:
792
Sequence:
MKFSEKWLRSWANPQVSHDELVARLSMVGLEVDADLPVAGAFSGVVVGEVLSTEQHPDADKLRVCQVSNGSETFQVVCGAPNVRAGLKIPFAMIGAELPDDFKIKKAKLRGVESFGMLCSAKELQISEENAGLLELPADAPVGQDVRTYLELADYTIEVGLTPNRGDCLSLAGLAREVSAIYDVPLAPVAVDAVAAQHDETRPVELAAPAACPRYLGRVIRNVDLSRPTPLWMVERLRRSDIRSIDPVVDVTNYVMIELGQPMHAFDLAEINGGVRVRMAEDGEKLVLLDGQEITLRADTLVIADHQRALAIAGVMGGEHSGVSDSTRDLFLEAAFFDTIALAGKARSYGLHTDSSHRFERGVDSQLARKAMERATRLILDIVGGEPGPIVEQVSEAHLPKVAPITLRAERVTQMLGMPLDAAEIVRLLQALELTVVADGEGQWSVGVPSHRFDISLEVDLIEELARLYGYNRLPVRYPQARLAPNNKPEARAALPLLRRLLVARGYQEAITFSFIDPALFELFDPGTQPLTLANPISADMAAMRSSLWPGLVKALQHNLNRQQSRVRLFESGLRFVGQLEGLKQEAMLAGAICGKRLPEGWANGRDGVDFFDAKADVEAVLASAGALGDFSFVPGEHPALHPGQTARIEREGRLVGYLGALHPELAKKLDLEQPVFLFELLLAEVVDGHLPKFRELSRFPEVRRDLALLVDQDVPAQDILTQIRAAAGEWLTDLRLFDVYHGKGIDPHRKSLAVGLTWQHPSRTLNDDEVNSTTQNIVTSLEERFNATLRK
  
Inhibitor
Name:
BDBM231665
Synonyms:
1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)phenyl)-3-(thiazol-2-yl)urea (1a)
Type:
Small organic molecule
Emp. Form.:
C19H20N6O3S2
Mol. Mass.:
444.53
SMILES:
O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Structure:
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