PDBsum entry 4xn6

Hydrolase

PDB id: 4xn6

Contents

Protein chain

129 a.a.

Ligands

BEN

Waters ×95

PDB id:

4xn6

Name:

Hydrolase

Title:

Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine

Structure:

LysozymE C. Chain: a. Synonym: 1,4-beta-n-acetylmuramidasE C,allergen gal d iv, lysozyme egg. Ec: 3.2.1.17

Source:

Gallus gallus. Chicken. Organism_taxid: 9031

Resolution:

1.35Å R-factor: 0.140 R-free: 0.166

Authors:

M.Gelin,F.Allemand,G.Labesse,J.F.Guichou

Key ref:

M.Gelin et al. (2015). Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr D Biol Crystallogr, 71, 1777-1787. PubMed id: 26249358 DOI: 10.1107/S1399004715010342

Date:

15-Jan-15 Release date: 12-Aug-15

Protein chain

P00698  (LYSC_CHICK) -  Lysozyme C from Gallus gallus

Seq: 147 a.a.

Struc: 129 a.a.

Enzyme reactions

• Enzyme class: E.C.3.2.1.17 - lysozyme.
• Reaction: Hydrolysis of the 1,4-beta-linkages between N-acetyl-D-glucosamine and N-acetylmuramic acid in peptidoglycan heteropolymers of the prokaryotes cell walls.

DOI no: 10.1107/S1399004715010342

Acta Crystallogr D Biol Crystallogr 71:1777-1787 (2015)

PubMed id: 26249358

Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.

M.Gelin, V.Delfosse, F.Allemand, F.Hoh, Y.Sallaz-Damaz, M.Pirocchi, W.Bourguet, J.L.Ferrer, G.Labesse, J.F.Guichou.

ABSTRACT

X-ray crystallography is an established technique for ligand screening in fragment-based drug-design projects, but the required manual handling steps - soaking crystals with ligand and the subsequent harvesting - are tedious and limit the throughput of the process. Here, an alternative approach is reported: crystallization plates are pre-coated with potential binders prior to protein crystallization and X-ray diffraction is performed directly `in situ' (or in-plate). Its performance is demonstrated on distinct and relevant therapeutic targets currently being studied for ligand screening by X-ray crystallography using either a bending-magnet beamline or a rotating-anode generator. The possibility of using DMSO stock solutions of the ligands to be coated opens up a route to screening most chemical libraries.