4YTA

BOND LENGTH ANALYSIS OF ASP, GLU AND HIS RESIDUES IN TRYPSIN AT 1.2A RESOLUTION

「3UNR」から置き換えられました

4YTA の概要

• エントリーDOI: 10.2210/pdb4yta/pdb
• 分子名称: Cationic trypsin, GLYCEROL, SULFATE ION, ... (6 entities in total)
• 機能のキーワード: serine protease, hydrolase
• 由来する生物種: Bos taurus (cattle)
• 細胞内の位置: Secreted, extracellular space: P00760
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24621.40

構造登録者

Fisher, S.J.,Helliwell, J.R.,Blakeley, M.P.,Cianci, M.,McSweeny, S. (登録日: 2015-03-17, 公開日: 2015-05-27, 最終更新日: 2024-10-16)

主引用文献

Fisher, S.J.,Blakeley, M.P.,Cianci, M.,McSweeney, S.,Helliwell, J.R.
Protonation-state determination in proteins using high-resolution X-ray crystallography: effects of resolution and completeness.
Acta Crystallogr. D Biol. Crystallogr., 68:800-809, 2012

PubMed Abstract: A bond-distance analysis has been undertaken to determine the protonation states of ionizable amino acids in trypsin, subtilisin and lysozyme. The diffraction resolutions were 1.2 Å for trypsin (97% complete, 12% H-atom visibility at 2.5σ), 1.26 Å for subtilisin (100% complete, 11% H-atom visibility at 2.5σ) and 0.65 Å for lysozyme (PDB entry 2vb1; 98% complete, 30% H-atom visibility at 3σ). These studies provide a wide diffraction resolution range for assessment. The bond-length e.s.d.s obtained are as small as 0.008 Å and thus provide an exceptional opportunity for bond-length analyses. The results indicate that useful information can be obtained from diffraction data at around 1.2-1.3 Å resolution and that minor increases in resolution can have significant effects on reducing the associated bond-length standard deviations. The protonation states in histidine residues were also considered; however, owing to the smaller differences between the protonated and deprotonated forms it is much more difficult to infer the protonation states of these residues. Not even the 0.65 Å resolution lysozyme structure provided the necessary accuracy to determine the protonation states of histidine.

PubMed: 22751665
DOI: 10.1107/S0907444912012589

実験手法

X-RAY DIFFRACTION (1.2 Å)