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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
1kceCB3Thymidylate synthase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1kceCB3Thymidylate synthase/1.000
1aiqCB3Thymidylate synthase/0.599
1trgCB3Thymidylate synthase/0.574
2bbqPFGThymidylate synthase/0.571
3bgxMEFThymidylate synthase/0.566
1dnaCB3Thymidylate synthase/0.562
1fwmCB3Thymidylate synthase/0.560
1jutLYDThymidylate synthase/0.558
1jtqLY3Thymidylate synthase/0.536
1axwMTXThymidylate synthase/0.531
4gevCB3Thymidylate synthase/0.529
2tscCB3Thymidylate synthase/0.528
1tduCB3Thymidylate synthase/0.525
3bhrTHGThymidylate synthase/0.524
1kziTHGThymidylate synthase/0.522
1kzjCB3Thymidylate synthase/0.521
2ftoCB3Thymidylate synthase/0.516
3bhlTHGThymidylate synthase/0.515
2kceD16Thymidylate synthase/0.513
1an5CB3Thymidylate synthase/0.511
1f4fTP3Thymidylate synthase/0.510
1jtuLYBThymidylate synthase/0.510
1tysDHFThymidylate synthase/0.506
1nceCB3Thymidylate synthase/0.502
4knzCB3Thymidylate synthase/0.502
4fqsLYAThymidylate synthase ThyA/0.500
1tlcF89Thymidylate synthase/0.496
1zprCB3Thymidylate synthase/0.496
1tsdF89Thymidylate synthase/0.491
4ez8DHFThymidylate synthase2.1.1.450.487
1bq1CB3Thymidylate synthase/0.485
3uwlFOZThymidylate synthase/0.475
1ju6LYAThymidylate synthase2.1.1.450.474
1hvyD16Thymidylate synthase2.1.1.450.473
1jujLYAThymidylate synthase2.1.1.450.472
1qzfCB3Bifunctional dihydrofolate reductase-thymidylate synthase/0.471
1dduCB3Thymidylate synthase/0.465
4fogC2FThymidylate synthase ThyA/0.461
4isk1JYThymidylate synthase/0.456
4o7uTHFThymidylate synthase/0.453
4eilCB3Bifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.443