Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
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
2hdjNDPAldo-keto reductase family 1 member C2

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2hdjNDPAldo-keto reductase family 1 member C2/1.000
4jtqNAPAldo-keto reductase family 1 member C2/0.614
4xo7NAPAldo-keto reductase family 1 member C2/0.607
4jq3NAPAldo-keto reductase family 1 member C2/0.592
4l1xNAPAldo-keto reductase family 1 member C2/0.586
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.535
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.511
3caqNDP3-oxo-5-beta-steroid 4-dehydrogenase/0.511
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.509
4dz5NAPAldo-keto reductase family 1 member C3/0.505
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.496
1s1rNAPAldo-keto reductase family 1 member C3/0.492
2hejNDPAldo-keto reductase family 1 member C211.1.10.483
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.472
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.464
2acqNAPAldose reductase1.1.1.210.455
1az2NAPAldose reductase1.1.1.210.453
2p5nNDPAldo-keto reductase family 1 member C211.1.10.448
2j8tNAPAldose reductase1.1.1.210.446
1x96NAPAldose reductase1.1.1.210.443
2clpNDPAflatoxin B1 aldehyde reductase member 3/0.442
2iq0NAPAldose reductase1.1.1.210.441