Reaction Details Report a problem with these data
Target
Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
Ligand
BDBM228806
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
pH
8±n/a
Kd
1.7e+4± 1.6e+3 nM
Comments
extracted
Citation
 Jenkins, RJ; Heslip, KA; Meagher, JL; Stuckey, JA; Dotson, GD Structural basis for the recognition of peptide RJPXD33 by acyltransferases in lipid A biosynthesis. J Biol Chem 289:15527-35 (2014) [PubMed]  Article 
Target
Name:
Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
Synonyms:
LPXA_ECOLI | UDP-N-acetylglucosamine acryltransferase (LpxA) | lpxA
Type:
Enzyme
Mol. Mass.:
28083.70
Organism:
Escherichia coli (Enterobacteria)
Description:
P0A722
Residue:
262
Sequence:
MIDKSAFVHPTAIVEEGASIGANAHIGPFCIVGPHVEIGEGTVLKSHVVVNGHTKIGRDNEIYQFASIGEVNQDLKYAGEPTRVEIGDRNRIRESVTIHRGTVQGGGLTKVGSDNLLMINAHIAHDCTVGNRCILANNATLAGHVSVDDFAIIGGMTAVHQFCIIGAHVMVGGCSGVAQDVPPYVIAQGNHATPFGVNIEGLKRRGFSREAITAIRNAYKLIYRSGKTLDEVKPEIAELAETYPEVKAFTDFFARSTRGLIR
  
Inhibitor
Name:
BDBM228806
Synonyms:
FITC-(βa)TNLYMLPKWDIP-CONH2 | FITC-RJPXD33
Type:
Small organic molecule
Emp. Form.:
C95H124N18O23S2
Mol. Mass.:
1950.238
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O |r,wU:125.134,74.82,54.61,39.40,16.28,4.4,90.94,wD:82.90,62.74,46.53,30.37,8.12,2.2,134.143,(58.72,-13.14,;58.72,-14.68,;60.05,-15.45,;61.38,-14.68,;60.05,-16.99,;58.72,-17.76,;57.18,-16.99,;57.18,-15.45,;55.84,-17.76,;55.84,-19.3,;57.18,-20.07,;58.51,-19.3,;57.18,-21.61,;54.51,-16.99,;52.97,-17.76,;52.97,-19.3,;51.63,-16.99,;51.63,-15.45,;52.97,-14.68,;54.36,-15.3,;55.39,-14.16,;54.63,-12.84,;55.11,-11.38,;54.09,-10.23,;52.59,-10.54,;52.11,-12,;53.13,-13.15,;50.3,-17.76,;48.76,-16.99,;48.76,-15.45,;47.43,-17.76,;47.43,-19.3,;48.76,-20.07,;48.76,-21.61,;50.09,-22.38,;50.09,-23.92,;46.09,-16.99,;44.55,-17.73,;44.55,-19.27,;43.18,-17.03,;42.94,-15.51,;41.42,-15.27,;40.72,-16.64,;41.81,-17.73,;40.29,-16.99,;40.29,-15.45,;38.95,-17.76,;38.95,-19.3,;40.29,-20.07,;41.62,-19.3,;40.29,-21.61,;37.62,-16.99,;36.08,-17.76,;36.08,-19.3,;34.75,-16.99,;34.75,-15.45,;36.08,-14.68,;36.08,-13.14,;37.41,-12.37,;33.41,-17.76,;31.87,-16.99,;31.87,-15.45,;30.54,-17.76,;30.54,-19.3,;31.87,-20.07,;31.87,-21.61,;33.21,-22.38,;34.54,-21.61,;35.88,-22.38,;34.54,-20.07,;33.21,-19.3,;29.21,-16.99,;27.67,-17.76,;27.67,-19.3,;26.33,-16.99,;26.33,-15.45,;27.67,-14.68,;29,-15.45,;27.67,-13.14,;25,-17.76,;23.46,-16.99,;23.46,-15.45,;22.13,-17.76,;22.13,-19.3,;23.46,-20.07,;23.46,-21.61,;24.79,-19.3,;20.79,-16.99,;19.25,-17.76,;19.25,-19.3,;17.92,-16.99,;16.64,-17.68,;15.43,-16.91,;15.43,-15.37,;14.1,-17.68,;12.76,-16.91,;11.43,-17.68,;10.1,-16.91,;10.1,-15.37,;8.76,-17.68,;8.76,-19.22,;10.1,-19.99,;10.1,-21.53,;8.76,-22.3,;7.43,-21.53,;7.43,-19.99,;5.94,-21.93,;4.85,-20.84,;5.54,-23.42,;8.76,-23.84,;10.1,-24.61,;11.43,-23.84,;12.76,-24.61,;12.76,-26.15,;14.1,-26.92,;11.43,-26.92,;10.1,-26.15,;8.76,-26.92,;7.43,-26.15,;6.1,-26.92,;4.76,-26.15,;3.43,-26.92,;4.76,-24.61,;6.1,-23.84,;7.43,-24.61,;17.92,-15.45,;16.58,-14.68,;19.25,-14.68,;61.38,-17.76,;61.38,-19.3,;62.9,-17.03,;61.81,-18.12,;62.51,-19.49,;64.03,-19.25,;64.28,-17.73,;65.65,-17.03,;66.96,-17.83,;65.65,-15.49,)|
Structure:
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