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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
4fqsLYAThymidylate synthase ThyA

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4fqsLYAThymidylate synthase ThyA/1.000
2ftoCB3Thymidylate synthase/0.657
4gevCB3Thymidylate synthase/0.622
4knzCB3Thymidylate synthase/0.559
1kceCB3Thymidylate synthase/0.548
1dnaCB3Thymidylate synthase/0.545
4isk1JYThymidylate synthase/0.541
1tysDHFThymidylate synthase/0.538
1nceCB3Thymidylate synthase/0.531
1jtuLYBThymidylate synthase/0.529
1jtqLY3Thymidylate synthase/0.527
3k2hLYABifunctional dihydrofolate reductase-thymidylate synthase/0.520
1kziTHGThymidylate synthase/0.518
2bbqPFGThymidylate synthase/0.513
1aiqCB3Thymidylate synthase/0.509
1trgCB3Thymidylate synthase/0.509
1f4fTP3Thymidylate synthase/0.506
3bgxMEFThymidylate synthase/0.506
1fwmCB3Thymidylate synthase/0.503
1hvyD16Thymidylate synthase2.1.1.450.503
4ez8DHFThymidylate synthase2.1.1.450.502
3uwlFOZThymidylate synthase/0.498
1zprCB3Thymidylate synthase/0.496
1ju6LYAThymidylate synthase2.1.1.450.492
3bhrTHGThymidylate synthase/0.491
1axwMTXThymidylate synthase/0.485
1s3uTQDDihydrofolate reductase1.5.1.30.475
1kzjCB3Thymidylate synthase/0.471
1dduCB3Thymidylate synthase/0.468
1f28F89Thymidylate synthase2.1.1.450.467
2kceD16Thymidylate synthase/0.467
4fogC2FThymidylate synthase ThyA/0.465
3bhlTHGThymidylate synthase/0.461
1pd9CO4Dihydrofolate reductase1.5.1.30.458
4l4xNDPAmphI/0.457
1qzfCB3Bifunctional dihydrofolate reductase-thymidylate synthase/0.456
2ftoTMPThymidylate synthase/0.455
4o7uTHFThymidylate synthase/0.454
1mvsDTMDihydrofolate reductase1.5.1.30.452
2tscCB3Thymidylate synthase/0.450
3d84NDPDihydrofolate reductase1.5.1.30.450
1kboFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.449
1pr9NAPL-xylulose reductase1.1.1.100.449
1tduCB3Thymidylate synthase/0.448
1x8lOXRRetinol dehydratase/0.448
1jujLYAThymidylate synthase2.1.1.450.446
1jutLYDThymidylate synthase/0.446
2yee2ECHeat shock protein HSP 90-alpha/0.446
1f4gTP4Thymidylate synthase/0.445
3q43D66M1 family aminopeptidase3.4.110.445
1an5CB3Thymidylate synthase/0.444
2pg0FADAcyl-CoA dehydrogenase/0.444
4ejmNAPPutative zinc-binding dehydrogenase/0.443
1bq1CB3Thymidylate synthase/0.442
1a4lDCFAdenosine deaminase3.5.4.40.441
2gjnFMNNitronate monooxygenase1.13.12.160.441
3nxxNDPDihydrofolate reductase1.5.1.30.441
4eph0RKCarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.441