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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
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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
2pevNDPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2pevNDPAldose reductase1.1.1.211.000
2pf8NDPAldose reductase1.1.1.210.868
2pfhNDPAldose reductase1.1.1.210.654
2iq0NAPAldose reductase1.1.1.210.617
1az2NAPAldose reductase1.1.1.210.594
1z8aNAPAldose reductase1.1.1.210.577
2acqNAPAldose reductase1.1.1.210.566
2acuNAPAldose reductase1.1.1.210.565
1ah4NAPAldose reductase1.1.1.210.559
3q65NAPAldose reductase1.1.1.210.558
3v36NAPAldose reductase1.1.1.210.553
1adsNAPAldose reductase1.1.1.210.550
1x98NAPAldose reductase1.1.1.210.549
2j8tNAPAldose reductase1.1.1.210.547
3qkzNAPAldose reductase-related protein 11.1.1.210.536
2acsNAPAldose reductase1.1.1.210.533
3q67NAPAldose reductase1.1.1.210.528
1x96NAPAldose reductase1.1.1.210.523
1c9wNAPAldose reductase-related protein 2/0.514
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.492
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.491
3h7rNAPAldo-keto reductase family 4 member C8/0.486
3o3rNAPAldose reductase-related protein 11.1.1.210.479
1k8cNAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.466
1s1rNAPAldo-keto reductase family 1 member C3/0.465
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.463
4xo7NAPAldo-keto reductase family 1 member C2/0.461
2hdjNDPAldo-keto reductase family 1 member C2/0.457
3wg6NDPNADPH-dependent conjugated polyketone reductase C1/0.457
1r38NAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.449
4g5dNDPProstaglandin F synthase1.1.1.1880.447
4l1xNAPAldo-keto reductase family 1 member C2/0.446
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.444
2hejNDPAldo-keto reductase family 1 member C211.1.10.441