3FV4

Thermolysin inhibition

3FV4 の概要

• エントリーDOI: 10.2210/pdb3fv4/pdb
• 関連するPDBエントリー: 3ELF 4TMN 5TMN
• 関連するBIRD辞書のPRD_ID: PRD_000653
• 分子名称: Thermolysin, CALCIUM ION, ZINC ION, ... (7 entities in total)
• 機能のキーワード: protease phosphonamidate inhibitor, hydrolase, metal-binding, metalloprotease, protease, secreted, zymogen
• 由来する生物種: Bacillus thermoproteolyticus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35432.01

構造登録者

Englert, L.,Biela, A.,Heine, A.,Klebe, G. (登録日: 2009-01-15, 公開日: 2010-02-09, 最終更新日: 2023-09-06)

主引用文献

Englert, L.,Biela, A.,Zayed, M.,Heine, A.,Hangauer, D.,Klebe, G.
Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin.
Biochim.Biophys.Acta, 1800:1192-1202, 2010

PubMed Abstract: Prerequisite for the design of tight binding protein inhibitors and prediction of their properties is an in-depth understanding of the structural and thermodynamic details of the binding process. A series of closely related phosphonamidates was studied to elucidate the forces underlying their binding affinity to thermolysin. The investigated inhibitors are identical except for the parts penetrating into the hydrophobic S₁'-pocket.

PubMed: 20600625
DOI: 10.1016/j.bbagen.2010.06.009

実験手法

X-RAY DIFFRACTION (1.56 Å)