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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
2acqNAPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2acqNAPAldose reductase1.1.1.211.000
2iq0NAPAldose reductase1.1.1.210.674
1x96NAPAldose reductase1.1.1.210.668
1z8aNAPAldose reductase1.1.1.210.641
1x98NAPAldose reductase1.1.1.210.634
2acsNAPAldose reductase1.1.1.210.620
2j8tNAPAldose reductase1.1.1.210.615
1az2NAPAldose reductase1.1.1.210.611
3q65NAPAldose reductase1.1.1.210.598
3q67NAPAldose reductase1.1.1.210.585
3v36NAPAldose reductase1.1.1.210.584
2acuNAPAldose reductase1.1.1.210.579
2pf8NDPAldose reductase1.1.1.210.576
2pfhNDPAldose reductase1.1.1.210.574
1adsNAPAldose reductase1.1.1.210.567
1ah4NAPAldose reductase1.1.1.210.567
2pevNDPAldose reductase1.1.1.210.542
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.523
3o3rNAPAldose reductase-related protein 11.1.1.210.519
3qkzNAPAldose reductase-related protein 11.1.1.210.498
4g5dNDPProstaglandin F synthase1.1.1.1880.482
1k8cNAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.464
3h7rNAPAldo-keto reductase family 4 member C8/0.464
4xo7NAPAldo-keto reductase family 1 member C2/0.450
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.447
2hejNDPAldo-keto reductase family 1 member C211.1.10.443
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.440