Reaction Details Report a problem with these data
Target
Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase
Ligand
BDBM228807
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
pH
8±n/a
Kd
5.0e+4± 1.8e+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:
BDBM228807
Synonyms:
FITC-(βa)TN(L-photoleucine)YMLPKWDIP-CONH2 | FITC-Photo 1
Type:
Small organic molecule
Emp. Form.:
C94H120N20O23S2
Mol. Mass.:
1962.209
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](CC1(C)N=N1)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:126.136,91.96,74.84,54.61,39.40,16.28,4.4,wD:83.92,46.53,30.37,8.12,2.2,135.145,62.74,c:82,(58.43,-13.09,;58.43,-14.63,;59.76,-15.4,;61.09,-14.63,;59.76,-16.94,;58.43,-17.71,;56.89,-16.94,;56.89,-15.4,;55.55,-17.71,;55.55,-19.25,;56.89,-20.02,;58.22,-19.25,;56.89,-21.56,;54.22,-16.94,;52.68,-17.71,;52.68,-19.25,;51.35,-16.94,;51.34,-15.4,;52.68,-14.63,;54.07,-15.25,;55.1,-14.11,;54.34,-12.78,;54.82,-11.33,;53.8,-10.18,;52.3,-10.49,;51.82,-11.95,;52.84,-13.1,;50.01,-17.71,;48.47,-16.94,;48.47,-15.4,;47.14,-17.71,;47.14,-19.25,;48.47,-20.02,;48.47,-21.56,;49.81,-22.33,;49.81,-23.87,;45.8,-16.94,;44.26,-17.68,;44.26,-19.22,;42.89,-16.98,;42.65,-15.46,;41.13,-15.22,;40.43,-16.59,;41.52,-17.68,;40,-16.94,;40,-15.4,;38.67,-17.71,;38.67,-19.25,;40,-20.02,;41.33,-19.25,;40,-21.56,;37.33,-16.94,;35.79,-17.71,;35.79,-19.25,;34.46,-16.94,;34.46,-15.4,;35.79,-14.63,;35.79,-13.09,;37.13,-12.32,;33.12,-17.71,;31.58,-16.94,;31.58,-15.4,;30.25,-17.71,;30.25,-19.25,;31.58,-20.02,;31.58,-21.56,;32.92,-22.33,;34.25,-21.56,;35.59,-22.33,;34.25,-20.02,;32.92,-19.25,;28.89,-16.94,;27.55,-17.71,;27.55,-19.25,;26.22,-16.94,;26.22,-15.4,;27.55,-14.63,;28.89,-15.4,;26.78,-13.29,;28.32,-13.29,;24.89,-17.71,;23.55,-16.94,;23.55,-15.4,;22.22,-17.71,;22.22,-19.25,;23.55,-20.02,;23.55,-21.56,;24.89,-19.25,;20.89,-16.94,;19.35,-17.71,;19.35,-19.25,;18.01,-16.94,;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,;18.01,-15.4,;16.68,-14.63,;19.35,-14.63,;61.09,-17.71,;61.09,-19.25,;62.61,-16.98,;61.53,-18.07,;62.22,-19.44,;63.75,-19.2,;63.99,-17.68,;65.36,-16.98,;66.67,-17.78,;65.36,-15.44,)|
Structure:
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