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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
4irrUMPThymidylate synthase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4irrUMPThymidylate synthase/1.000
3qj7UMPThymidylate synthase ThyA/0.525
1ci7UMPThymidylate synthase2.1.1.450.520
5by6UMPThymidylate synthase/0.516
4eb4UMPThymidylate synthase2.1.1.450.495
4xsdUMPThymidylate synthase2.1.1.450.491
3dgaUMPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.477
4einNOHThymidylate synthase2.1.1.450.477
4h0uUMPThymidylate synthase/0.473
4psgNOHThymidylate synthase/0.470
4foxUMPThymidylate synthase ThyA/0.466
3bhlTHGThymidylate synthase/0.463
4dpdUMPBifunctional dihydrofolate reductase-thymidylate synthase/0.459
4e5oUMPThymidylate synthase2.1.1.450.455
1an5CB3Thymidylate synthase/0.452
1bidUMPThymidylate synthase/0.452
1fwmCB3Thymidylate synthase/0.448
4dq1UMPThymidylate synthase/0.447
3dg8UMPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.446
4iskUMPThymidylate synthase/0.443
3bgxTMPThymidylate synthase/0.442
4fogC2FThymidylate synthase ThyA/0.441