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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
2j8tNAPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2j8tNAPAldose reductase1.1.1.211.000
1x96NAPAldose reductase1.1.1.210.709
1x98NAPAldose reductase1.1.1.210.680
2acqNAPAldose reductase1.1.1.210.646
1az2NAPAldose reductase1.1.1.210.638
2acsNAPAldose reductase1.1.1.210.618
3q67NAPAldose reductase1.1.1.210.604
3q65NAPAldose reductase1.1.1.210.602
2iq0NAPAldose reductase1.1.1.210.601
1adsNAPAldose reductase1.1.1.210.594
1ah4NAPAldose reductase1.1.1.210.584
3v36NAPAldose reductase1.1.1.210.573
2pf8NDPAldose reductase1.1.1.210.567
1z8aNAPAldose reductase1.1.1.210.565
2pfhNDPAldose reductase1.1.1.210.559
2pevNDPAldose reductase1.1.1.210.540
2acuNAPAldose reductase1.1.1.210.536
3o3rNAPAldose reductase-related protein 11.1.1.210.519
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.512
3qkzNAPAldose reductase-related protein 11.1.1.210.499
4g5dNDPProstaglandin F synthase1.1.1.1880.493
1k8cNAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.486
2hejNDPAldo-keto reductase family 1 member C211.1.10.470
1c9wNAPAldose reductase-related protein 2/0.467
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.466
2hdjNDPAldo-keto reductase family 1 member C2/0.466
3h7rNAPAldo-keto reductase family 4 member C8/0.466
1r38NAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.459
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.458
4xo7NAPAldo-keto reductase family 1 member C2/0.458
4l1xNAPAldo-keto reductase family 1 member C2/0.456
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.450
4jtqNAPAldo-keto reductase family 1 member C2/0.446