Ki Summary

Reaction Details

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Target

Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase

Ligand

BDBM228811

Substrate

n/a

Meas. Tech.

Fluorescence Polarization Assay

8±n/a

4.4e+3± 2e+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

More Info.:

Get all data from this article, Assay Method

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:

BDBM228811

Synonyms:

FITC-(βa)TNLYML-COOH | FITC-RJPXD33Δ6-COOH

Type:

Small organic molecule

Emp. Form.:

C58H71N9O16S2

Mol. Mass.:

1214.365

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)=O |r,wU:71.77,20.25,4.4,36.37,wD:28.33,8.17,77.81,(51.24,-12.65,;49.91,-13.42,;49.91,-14.96,;48.58,-15.73,;48.58,-17.27,;47.24,-18.04,;45.7,-17.27,;45.7,-15.73,;44.37,-18.04,;44.37,-19.58,;45.7,-20.35,;45.7,-21.89,;47.04,-22.66,;48.37,-21.89,;49.7,-22.66,;48.37,-20.35,;47.04,-19.58,;43.04,-17.27,;41.5,-18.04,;41.5,-19.58,;40.16,-17.27,;40.16,-15.73,;41.5,-14.96,;42.83,-15.73,;41.5,-13.42,;38.83,-18.04,;37.29,-17.27,;37.29,-15.73,;35.95,-18.04,;35.95,-19.58,;37.29,-20.35,;37.29,-21.89,;38.62,-19.58,;34.62,-17.27,;33.08,-18.04,;33.08,-19.58,;31.75,-17.27,;30.29,-17.97,;28.98,-17.22,;28.98,-15.68,;27.65,-17.99,;26.32,-17.22,;24.98,-17.99,;23.65,-17.22,;23.65,-15.68,;22.32,-17.99,;22.32,-19.53,;23.65,-20.3,;23.65,-21.84,;22.32,-22.61,;20.98,-21.84,;20.98,-20.3,;19.49,-22.24,;18.41,-21.15,;19.1,-23.73,;22.32,-24.15,;23.65,-24.92,;24.98,-24.15,;26.32,-24.92,;26.32,-26.46,;27.65,-27.23,;24.98,-27.23,;23.65,-26.46,;22.32,-27.23,;20.98,-26.46,;19.65,-27.23,;18.31,-26.46,;16.98,-27.23,;18.31,-24.92,;19.65,-24.15,;20.98,-24.92,;31.75,-15.73,;30.41,-14.96,;33.08,-14.96,;49.91,-18.04,;49.91,-19.58,;51.45,-17.27,;52.78,-18.04,;52.78,-19.58,;54.12,-20.35,;55.45,-19.58,;54.12,-21.89,;54.12,-17.27,;55.45,-18.04,;54.12,-15.73,)|

Structure: