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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
4df2FMNNADPH dehydrogenase

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4df2FMNNADPH dehydrogenase/1.000
4qaiFMNNADPH dehydrogenase/0.582
4m5pFMNNADPH dehydrogenase/0.567
3tjlFMNNADPH dehydrogenase/0.541
1bwlFMNNADPH dehydrogenase 11.6.99.10.513
1h50FMNPentaerythritol tetranitrate reductase/0.503
1vyrFMNPentaerythritol tetranitrate reductase/0.502
1icqFMN12-oxophytodienoate reductase 11.3.1.420.499
3f03FMNPentaerythritol tetranitrate reductase/0.498
4rnvFMNNADPH dehydrogenase 11.6.99.10.498
3p67FMNPentaerythritol tetranitrate reductase/0.497
3p74FMNPentaerythritol tetranitrate reductase/0.492
3hgrFMN12-oxophytodienoate reductase 11.3.1.420.488
2abbFMNPentaerythritol tetranitrate reductase/0.484
3p62FMNPentaerythritol tetranitrate reductase/0.484
1vjiFMN12-oxophytodienoate reductase 11.3.1.420.481
1h63FMNPentaerythritol tetranitrate reductase/0.480
4tmcFMNOld yellow enzyme/0.472
1icsFMN12-oxophytodienoate reductase 11.3.1.420.471
1bwkFMNNADPH dehydrogenase 11.6.99.10.468
2hs6FMN12-oxophytodienoate reductase 31.3.1.420.466
3p8jFMNPentaerythritol tetranitrate reductase/0.465
1h51FMNPentaerythritol tetranitrate reductase/0.464
3p84FMNPentaerythritol tetranitrate reductase/0.461
4tmbFMNOld yellow enzyme/0.461
1oycFMNNADPH dehydrogenase 11.6.99.10.455
2q3rFMN12-oxophytodienoate reductase 11.3.1.420.454
4jicFMNGTN Reductase/0.451
4rnwFMNNADPH dehydrogenase 11.6.99.10.448
3atzFMNProstaglandin F2a synthase/0.442
4qnwFMNChanoclavine-I aldehyde reductase easA/0.442