4EDY: Crystal Structure Of Hh-Pgds With Water Displacing Inhibitor

Citation:
Abstract
The inhibition of hH-PGDS has been proposed as a potential target for the development of anti-allergic and anti-inflammatory drugs. Herein we describe our investigation of the binding pocket of this important enzyme and our observation that two water molecules bind to our inhibitors and the enzyme. A series of compounds were prepared to the probe the importance of the water molecules in determining the binding affinity of the inhibitors to the enzyme. The study provides insight into the binding requirements for the design of potent hH-PGDS inhibitors.
PDB ID: 4EDYDownload
MMDB ID: 103538
PDB Deposition Date: 2012/3/27
Updated in MMDB: 2012/10
Experimental Method:
x-ray diffraction
Resolution: 1.72  Å
Source Organism:
Similar Structures:
Biological Unit for 4EDY: dimeric; determined by author and by software (PISA)
Molecular Components in 4EDY
Label Count Molecule
Proteins (2 molecules)
2
Hematopoietic Prostaglandin D Synthase(Gene symbol: HPGDS)
Molecule annotation
Chemicals (5 molecules)
1
1
2
2
3
1
4
1
* Click molecule labels to explore molecular sequence information.

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