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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
1nceCB3Thymidylate synthase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1nceCB3Thymidylate synthase/1.000
1tduCB3Thymidylate synthase/0.593
1dnaCB3Thymidylate synthase/0.556
1jtqLY3Thymidylate synthase/0.535
1dduCB3Thymidylate synthase/0.513
2bbqPFGThymidylate synthase/0.509
1tduDURThymidylate synthase/0.507
1f4fTP3Thymidylate synthase/0.506
1kziTHGThymidylate synthase/0.505
2ftoCB3Thymidylate synthase/0.504
1zprCB3Thymidylate synthase/0.502
1an5CB3Thymidylate synthase/0.500
1trgCB3Thymidylate synthase/0.496
1kzjCB3Thymidylate synthase/0.493
3bgxMEFThymidylate synthase/0.493
1jtuLYBThymidylate synthase/0.492
2tscCB3Thymidylate synthase/0.491
1fwmCB3Thymidylate synthase/0.488
4knzCB3Thymidylate synthase/0.486
1tysDHFThymidylate synthase/0.483
1kceCB3Thymidylate synthase/0.482
4gevCB3Thymidylate synthase/0.479
1qzfCB3Bifunctional dihydrofolate reductase-thymidylate synthase/0.478
3bhlTHGThymidylate synthase/0.478
4fqsLYAThymidylate synthase ThyA/0.478
1bq1CB3Thymidylate synthase/0.473
1aiqCB3Thymidylate synthase/0.468
1hvyD16Thymidylate synthase2.1.1.450.467
1jutLYDThymidylate synthase/0.467
1ju6LYAThymidylate synthase2.1.1.450.464
1dduDDUThymidylate synthase/0.462
3bhrTHGThymidylate synthase/0.460
1axwMTXThymidylate synthase/0.458
1f4gTP4Thymidylate synthase/0.450
4isk1JYThymidylate synthase/0.450
1jujLYAThymidylate synthase2.1.1.450.448
2ftoTMPThymidylate synthase/0.446