Ki Summary

Reaction Details

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Target

UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase

Ligand

BDBM228810

Substrate

n/a

Meas. Tech.

Fluorescence Polarization Assay

8±n/a

2.2e+4± 1e+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

More Info.:

Get all data from this article, Assay Method

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:

BDBM228810

Synonyms:

FITC-(βa)TNLYML-CONH2 | FITC-RJPXD33Δ6

Type:

Small organic molecule

Emp. Form.:

C58H72N10O15S2

Mol. Mass.:

1213.38

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(N)=O |r,wU:71.77,20.25,4.4,36.37,wD:28.33,8.17,77.81,(37.69,-12.34,;36.36,-13.11,;36.36,-14.65,;35.02,-15.42,;35.02,-16.96,;33.69,-17.73,;32.15,-16.96,;32.15,-15.42,;30.82,-17.73,;30.82,-19.27,;32.15,-20.04,;32.15,-21.58,;33.48,-22.35,;34.82,-21.58,;36.15,-22.35,;34.82,-20.04,;33.48,-19.27,;29.48,-16.96,;27.94,-17.73,;27.94,-19.27,;26.61,-16.96,;26.61,-15.42,;27.94,-14.65,;29.28,-15.42,;27.94,-13.11,;25.28,-17.73,;23.74,-16.96,;23.74,-15.42,;22.4,-17.73,;22.4,-19.27,;23.74,-20.04,;23.74,-21.58,;25.07,-19.27,;21.07,-16.96,;19.53,-17.73,;19.53,-19.27,;18.2,-16.96,;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,;18.2,-15.42,;16.86,-14.65,;19.53,-14.65,;36.36,-17.73,;36.36,-19.27,;37.9,-16.96,;39.23,-17.73,;39.23,-19.27,;40.57,-20.04,;41.9,-19.27,;40.57,-21.58,;40.57,-16.96,;41.9,-17.73,;40.57,-15.42,)|

Structure: