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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
1x98NAPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
1x98NAPAldose reductase1.1.1.211.000
1x96NAPAldose reductase1.1.1.210.873
2acsNAPAldose reductase1.1.1.210.748
2iq0NAPAldose reductase1.1.1.210.747
2j8tNAPAldose reductase1.1.1.210.721
1z8aNAPAldose reductase1.1.1.210.716
2acqNAPAldose reductase1.1.1.210.700
1az2NAPAldose reductase1.1.1.210.698
3v36NAPAldose reductase1.1.1.210.625
3q67NAPAldose reductase1.1.1.210.606
1adsNAPAldose reductase1.1.1.210.600
1ah4NAPAldose reductase1.1.1.210.595
3q65NAPAldose reductase1.1.1.210.590
2pfhNDPAldose reductase1.1.1.210.581
2acuNAPAldose reductase1.1.1.210.578
2pevNDPAldose reductase1.1.1.210.565
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.519
3o3rNAPAldose reductase-related protein 11.1.1.210.517
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.489
3qkzNAPAldose reductase-related protein 11.1.1.210.483
4g5dNDPProstaglandin F synthase1.1.1.1880.482
3h7rNAPAldo-keto reductase family 4 member C8/0.479
1k8cNAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.469
1c9wNAPAldose reductase-related protein 2/0.459
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.459
4xo7NAPAldo-keto reductase family 1 member C2/0.451
2hejNDPAldo-keto reductase family 1 member C211.1.10.447
1r38NAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.446
2hdjNDPAldo-keto reductase family 1 member C2/0.446
1zgdNAPChalcone reductase/0.441