Table 2 Overview of non-covalent contacts between BTZ and BOZ inhibitors with DprE1.

From: Novel insight into the reaction of nitro, nitroso and hydroxylamino benzothiazinones and of benzoxacinones with Mycobacterium tuberculosis DprE1

Compound

12

5

9

1

2

Gly117

x

x

x

x

x

His132

x

x

x

x

x

Gly133

x

x

x

x

x

Lys134

x

x

x

x

x

Ser228

x

x

x

x

x

Trp230

—

x

—

x

—

Leu317

x

—

—

x

x

Gln336

x

—

x

x

x

Leu363

x

—

—

—

—

Val365

x

x

x

x

x

Lys367

x

x

x

x

x

Phe369

x

x

x

—

x

Asn385

x

x

x

x

x

Lys418

x

x

x

x

x

FAD

x

x

x

x

x

Back to article page