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5AHX

Apo structure of soluble epoxide hydrolase

Summary for 5AHX
Entry DOI10.2210/pdb5ahx/pdb
Related5AI0 5AI4 5AI5 5AI6 5AI8 5AI9 5AIA 5AIB 5AIC
DescriptorBIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION, GLYCEROL, ... (4 entities in total)
Functional Keywordshydrolase
Biological sourceHOMO SAPIENS (HUMAN)
Cellular locationCytoplasm: P34913
Total number of polymer chains1
Total formula weight62286.93
Authors
Oster, L.,Tapani, S.,Xue, Y.,Kack, H. (deposition date: 2015-02-10, release date: 2015-05-13, Last modification date: 2024-05-08)
Primary citationOster, L.,Tapani, S.,Xue, Y.,Kack, H.
Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20:1104-, 2015
Cited by
PubMed Abstract: Fragment-based drug discovery relies upon structural information for efficient compound progression, yet it is often challenging to generate structures with bound fragments. A summary of recent literature reveals that a wide repertoire of experimental procedures is employed to generate ligand-bound crystal structures successfully. We share in-house experience from setting up and executing fragment crystallography in a project that resulted in 55 complex structures. The ligands span five orders of magnitude in affinity and the resulting structures are made available to be of use, for example, for development of computational methods. Analysis of the results revealed that ligand properties such as potency, ligand efficiency (LE) and, to some degree, clogP influence the success of complex structure generation.
PubMed: 25931264
DOI: 10.1016/J.DRUDIS.2015.04.005
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2 Å)
Structure validation

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