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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
2iq0NAPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2iq0NAPAldose reductase1.1.1.211.000
1x96NAPAldose reductase1.1.1.210.705
2acsNAPAldose reductase1.1.1.210.674
1x98NAPAldose reductase1.1.1.210.642
2acqNAPAldose reductase1.1.1.210.635
1z8aNAPAldose reductase1.1.1.210.591
3q65NAPAldose reductase1.1.1.210.576
1ah4NAPAldose reductase1.1.1.210.570
2acuNAPAldose reductase1.1.1.210.568
2j8tNAPAldose reductase1.1.1.210.553
1adsNAPAldose reductase1.1.1.210.551
3v36NAPAldose reductase1.1.1.210.551
2pf8NDPAldose reductase1.1.1.210.543
2pfhNDPAldose reductase1.1.1.210.541
2pevNDPAldose reductase1.1.1.210.534
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.477
3qkzNAPAldose reductase-related protein 11.1.1.210.477
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.459
3o3rNAPAldose reductase-related protein 11.1.1.210.451
4g5dNDPProstaglandin F synthase1.1.1.1880.440