PDBsum entry 4xen

Hydrolase

PDB id: 4xen

Contents

Protein chain

129 a.a.

Ligands

NAG-NAG-NAG-NAG

Metals

_CL ×4

_NA

Waters ×172

References listed in PDB file

Key reference

• Title: High-Pressure protein crystallography of hen egg-White lysozyme.
• Authors: H.Yamada, T.Nagae, N.Watanabe.
• Ref.: Acta Crystallogr D Biol Crystallogr, 2015, 71, 742-753. [DOI no: 10.1107/S1399004715000292]
• PubMed id: 25849385

Abstract

Crystal structures of hen egg-white lysozyme (HEWL) determined under pressures ranging from ambient pressure to 950 MPa are presented. From 0.1 to 710 MPa, the molecular and internal cavity volumes are monotonically compressed. However, from 710 to 890 MPa the internal cavity volume remains almost constant. Moreover, as the pressure increases to 950 MPa, the tetragonal crystal of HEWL undergoes a phase transition from P43212 to P43. Under high pressure, the crystal structure of the enzyme undergoes several local and global changes accompanied by changes in hydration structure. For example, water molecules penetrate into an internal cavity neighbouring the active site and induce an alternate conformation of one of the catalytic residues, Glu35. These phenomena have not been detected by conventional X-ray crystal structure analysis and might play an important role in the catalytic activity of HEWL.