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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
3k2hLYABifunctional dihydrofolate reductase-thymidylate synthase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3k2hLYABifunctional dihydrofolate reductase-thymidylate synthase/1.000
2ftoCB3Thymidylate synthase/0.518
4fqsLYAThymidylate synthase ThyA/0.515
1tysDHFThymidylate synthase/0.501
2bbqPFGThymidylate synthase/0.501
4gevCB3Thymidylate synthase/0.497
1dnaCB3Thymidylate synthase/0.496
1ju6LYAThymidylate synthase2.1.1.450.494
1trgCB3Thymidylate synthase/0.491
1nceCB3Thymidylate synthase/0.490
1qzfCB3Bifunctional dihydrofolate reductase-thymidylate synthase/0.489
1jtqLY3Thymidylate synthase/0.487
4knzCB3Thymidylate synthase/0.483
1jutLYDThymidylate synthase/0.476
1kziTHGThymidylate synthase/0.475
1f4fTP3Thymidylate synthase/0.466
1kceCB3Thymidylate synthase/0.466
4l8u9AZSerum albumin/0.461
3rukAERSteroid 17-alpha-hydroxylase/17,20 lyase/0.458
1hvyD16Thymidylate synthase2.1.1.450.456
1jujLYAThymidylate synthase2.1.1.450.456
3dheANDEstradiol 17-beta-dehydrogenase 11.1.1.620.455
3cppCAMCamphor 5-monooxygenase1.14.15.10.452
2z3uCRRCytochrome P450/0.451
4ez8DHFThymidylate synthase2.1.1.450.451
1aiqCB3Thymidylate synthase/0.450
2drcMTXDihydrofolate reductase1.5.1.30.450
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.449
3a1l2CCCytochrome P450/0.449
3eteNDPGlutamate dehydrogenase 1, mitochondrial1.4.1.30.447
4ctaATPCinA-like protein/0.446
1jtuLYBThymidylate synthase/0.445
3uwlFOZThymidylate synthase/0.443
2hcdBIVVitamin D3 receptor A/0.442
2q9fC3SCholesterol 24-hydroxylase/0.442
3etdNDPGlutamate dehydrogenase 1, mitochondrial1.4.1.30.442
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.441
2tscCB3Thymidylate synthase/0.441
3sp6IL2Peroxisome proliferator-activated receptor alpha/0.441
1bvrNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.440