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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Binding site similarity measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44

Reference Protein Data Bank Entry :
PDB IDHETUniprot NameEC Number
2kceD16Thymidylate synthase

Complex with similar binding sites

PDB ID HET Uniprot Name EC Number Binding Site
Similarity		 Align
2kceD16Thymidylate synthase/1.000
1aiqCB3Thymidylate synthase/0.596
1dnaCB3Thymidylate synthase/0.593
1fwmCB3Thymidylate synthase/0.572
1kceCB3Thymidylate synthase/0.571
2tscCB3Thymidylate synthase/0.542
1jutLYDThymidylate synthase/0.535
1zprCB3Thymidylate synthase/0.535
1f4fTP3Thymidylate synthase/0.531
2bbqPFGThymidylate synthase/0.531
1kziTHGThymidylate synthase/0.523
1nceCB3Thymidylate synthase/0.521
1kzjCB3Thymidylate synthase/0.519
1tysDHFThymidylate synthase/0.515
3k2hLYABifunctional dihydrofolate reductase-thymidylate synthase/0.515
3bgxMEFThymidylate synthase/0.513
1dduCB3Thymidylate synthase/0.507
4knzCB3Thymidylate synthase/0.503
2ftoCB3Thymidylate synthase/0.502
4gevCB3Thymidylate synthase/0.502
1f4gTP4Thymidylate synthase/0.499
4fqsLYAThymidylate synthase ThyA/0.499
1jtqLY3Thymidylate synthase/0.494
1trgCB3Thymidylate synthase/0.483
2aazCB3Thymidylate synthase2.1.1.450.481
1fmlRTLRetinol dehydratase/0.477
1bq1CB3Thymidylate synthase/0.474
1jtuLYBThymidylate synthase/0.467
4isk1JYThymidylate synthase/0.464
1bk0ACVIsopenicillin N synthase1.21.3.10.463
1qzfCB3Bifunctional dihydrofolate reductase-thymidylate synthase/0.463
3bhlTHGThymidylate synthase/0.462
3zkyWT4Isopenicillin N synthase1.21.3.10.461
1synF89Thymidylate synthase/0.459
2iviACWIsopenicillin N synthase1.21.3.10.457
4fogC2FThymidylate synthase ThyA/0.457
4ez8DHFThymidylate synthase2.1.1.450.456
1gg5FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.453
1kbqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.453
1axwMTXThymidylate synthase/0.452
1hb1OCVIsopenicillin N synthase1.21.3.10.452
1jujLYAThymidylate synthase2.1.1.450.452
1qbgFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.452
2jb4A14Isopenicillin N synthase1.21.3.10.452
1blzACVIsopenicillin N synthase1.21.3.10.449
1d4aFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.449
2y60M8FIsopenicillin N synthase1.21.3.10.449
1nzdUPGDNA beta-glucosyltransferase/0.448
1uzwCDHIsopenicillin N synthase1.21.3.10.448
3slkNDPPolyketide synthase extender module 2/0.448
4ia3BIVVitamin D3 receptor A/0.448
1tduCB3Thymidylate synthase/0.445
1hb3SCVIsopenicillin N synthase1.21.3.10.444
1sejF89Bifunctional dihydrofolate reductase-thymidylate synthase/0.442
2ok7FADFerredoxin--NADP reductase, apicoplast/0.442
2wo7ASVIsopenicillin N synthase1.21.3.10.442
2y1oT26UDP-N-acetylmuramoylalanine--D-glutamate ligase6.3.2.90.442
4q71FADBifunctional protein PutA/0.442
1cf3FADGlucose oxidase1.1.3.40.440
4ge40KEKynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.440
5a4kFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.440