Reaction Details Report a problem with these data
Target
UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase
Ligand
BDBM228809
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
pH
8±n/a
Kd
8e+2± 1e+2 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:
UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase
Synonyms:
LPXD_ECOLI | UDP-3-O-(acryl)-glucosamine acryltransferase (LpxD) | firA | lpxD | omsA
Type:
Enzyme
Mol. Mass.:
36038.11
Organism:
Escherichia coli (Enterobacteria)
Description:
P21645
Residue:
341
Sequence:
MPSIRLADLAQQLDAELHGDGDIVITGVASMQSAQTGHITFMVNPKYREHLGLCQASAVVMTQDDLPFAKSAALVVKNPYLTYARMAQILDTTPQPAQNIAPSAVIDATAKLGNNVSIGANAVIESGVELGDNVIIGAGCFVGKNSKIGAGSRLWANVTIYHEIQIGQNCLIQSGTVVGADGFGYANDRGNWVKIPQIGRVIIGDRVEIGACTTIDRGALDDTIIGNGVIIDNQCQIAHNVVIGDNTAVAGGVIMAGSLKIGRYCMIGGASVINGHMEICDKVTVTGMGMVMRPITEPGVYSSGIPLQPNKVWRKTAALVMNIDDMSKRLKSLERKVNQQD
  
Inhibitor
Name:
BDBM228809
Synonyms:
FITC-(βa)TNLYMLPKWD(L-photoleucine)P-CONH2 | FITC-Photo 4
Type:
Small organic molecule
Emp. Form.:
C94H120N20O23S2
Mol. Mass.:
1962.209
SMILES:
CSCC[C@H](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)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC1(C)N=N1)C(=O)N1CCC[C@H]1C(N)=O |r,wU:71.77,20.25,4.4,88.94,101.106,36.37,123.130,135.145,wD:28.33,8.17,77.81,92.97,115.122,c:135,(37.63,-12.35,;36.29,-13.12,;36.29,-14.66,;34.96,-15.43,;34.96,-16.97,;33.62,-17.74,;32.08,-16.97,;32.08,-15.43,;30.75,-17.74,;30.75,-19.28,;32.08,-20.05,;32.08,-21.59,;33.42,-22.36,;34.75,-21.59,;36.09,-22.36,;34.75,-20.05,;33.42,-19.28,;29.42,-16.97,;27.88,-17.74,;27.88,-19.28,;26.54,-16.97,;26.54,-15.43,;27.88,-14.66,;29.21,-15.43,;27.88,-13.12,;25.21,-17.74,;23.67,-16.97,;23.67,-15.43,;22.34,-17.74,;22.34,-19.28,;23.67,-20.05,;23.67,-21.59,;25,-19.28,;21,-16.97,;19.46,-17.74,;19.46,-19.28,;18.13,-16.97,;16.73,-17.66,;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,;18.13,-15.43,;16.8,-14.66,;19.46,-14.66,;36.29,-17.74,;36.29,-19.28,;37.83,-16.97,;39.17,-17.74,;39.17,-19.28,;40.5,-20.05,;41.83,-19.28,;40.5,-21.59,;40.5,-16.97,;40.5,-15.43,;42.02,-17.7,;40.93,-16.61,;41.63,-15.24,;43.15,-15.48,;43.39,-17,;44.76,-17.7,;44.76,-19.24,;46.3,-16.97,;47.64,-17.74,;47.64,-19.28,;48.97,-20.05,;48.97,-21.59,;50.31,-22.36,;50.31,-23.9,;48.97,-16.97,;48.97,-15.43,;50.51,-17.74,;51.85,-16.97,;51.84,-15.43,;53.18,-14.66,;54.57,-15.28,;55.6,-14.14,;54.84,-12.81,;55.32,-11.35,;54.3,-10.21,;52.8,-10.52,;52.32,-11.97,;53.34,-13.13,;53.18,-17.74,;53.18,-19.28,;54.72,-16.97,;56.05,-17.74,;56.05,-19.28,;57.39,-20.05,;58.72,-19.28,;57.39,-21.59,;57.39,-16.97,;57.39,-15.43,;58.72,-17.74,;60.05,-16.97,;60.05,-15.43,;61.39,-14.66,;62.72,-15.43,;62.16,-13.33,;60.62,-13.33,;61.39,-17.74,;61.39,-19.28,;62.72,-16.97,;63.04,-15.46,;64.57,-15.3,;65.2,-16.71,;64.05,-17.74,;64.45,-19.23,;65.99,-19.23,;63.52,-20.45,)|
Structure:
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