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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
2whdFADThioredoxin reductase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2whdFADThioredoxin reductase/1.000
2q7vFADThioredoxin reductase/0.486
4cbqFADThioredoxin reductase/0.486
4jnqFDAThioredoxin reductase/0.483
3itjFADThioredoxin reductase 11.8.1.90.480
4up3FADThioredoxin reductase/0.472
4a5lFADThioredoxin reductase/0.469
5ez7FADProbable FAD-dependent oxidoreductase PA4991/0.462
3r9uFADThioredoxin reductase/0.459
2a7r5GPGMP reductase 2/0.458
3ctyFADProbable thioredoxin reductase/0.455
3te5NAI5'-AMP-activated protein kinase subunit gamma/0.455
4dh60KNBeta-secretase 13.4.23.460.454
1w6hTITPlasmepsin-23.4.23.390.453
2xlrFADPutative flavin-containing monooxygenase/0.453
5b1yNDP3-oxoacyl-[acyl-carrier-protein] reductase/0.451
1dxqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.449
5dp2NAPCurF/0.449
3lpjZ75Beta-secretase 13.4.23.460.447
1gg5FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.444
1x1cSAHC-20 methyltransferase/0.443
5a4kFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.443
1h50FMNPentaerythritol tetranitrate reductase/0.441
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.441
4ewn0VRImidazole glycerol phosphate synthase subunit HisF4.1.30.441
5bsfNADPyrroline-5-carboxylate reductase/0.441