2X6O

Tet Repressor class D in complex with 7-chlor-2-cyano-iso- tetracycline

2X6O の概要

• エントリーDOI: 10.2210/pdb2x6o/pdb
• 関連するPDBエントリー: 1A6I 1BJ0 1BJY 1BJZ 1DU7 1ORK 1QPI 2TCT 2TRT 2VKE 2VKV 2X9D 2XB5 2XGC 2XGD 2XGE 2XPS 2XPT 2XPU 2XPV 2XPW 2XRL
• 分子名称: TETRACYCLINE REPRESSOR PROTEIN CLASS D, (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE, CHLORIDE ION, ... (4 entities in total)
• 機能のキーワード: transcription, transcription regulation, antibiotic resistance
• 由来する生物種: ESCHERICHIA COLI
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23820.10

構造登録者

Volkers, G.,Hinrichs, W. (登録日: 2010-02-18, 公開日: 2011-03-02, 最終更新日: 2023-12-20)

主引用文献

Volkers, G.,Petruschka, L.,Hinrichs, W.
Recognition of Drug Degradation Products by Target Proteins: Isotetracycline Binding to Tet Repressor.
J.Med.Chem., 54:5108-, 2011

PubMed Abstract: Tetracycline antibiotics and their degradation products appear in medically treated tissues, food, soil, and manure sludge in the environment. In the context of protein interactions with various tetracyclines we performed crystal structure analyses of the tetracycline repressor in complex with weak or noninducing tetracycline derivatives. Isotetracyclines are degradation products of tetracyclines, which occur under physiological conditions. The typical framework of the antibiotic is irreversibly broken at the BC-ring connection, leading to a modified orientation of the AB to the new C*D ring fragments. The shape of the zwitterionic AB-ring fragment is unchanged and still binds to the TetR recognition site in a manner comparable to the intact antibiotic but without typical Mg(2+) chelation. This work is an example that drug degradation products can still bind to specific targets and should be discussed in light of potential and critical side effects.

PubMed: 21699184
DOI: 10.1021/JM200332E

実験手法

X-RAY DIFFRACTION (2.3 Å)