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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
2acuNAPAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2acuNAPAldose reductase1.1.1.211.000
2iq0NAPAldose reductase1.1.1.210.674
1az2NAPAldose reductase1.1.1.210.654
2acqNAPAldose reductase1.1.1.210.649
1adsNAPAldose reductase1.1.1.210.642
1x96NAPAldose reductase1.1.1.210.627
2acsNAPAldose reductase1.1.1.210.622
3v36NAPAldose reductase1.1.1.210.596
1z8aNAPAldose reductase1.1.1.210.592
2pevNDPAldose reductase1.1.1.210.591
2pf8NDPAldose reductase1.1.1.210.588
1ah4NAPAldose reductase1.1.1.210.584
1x98NAPAldose reductase1.1.1.210.580
2j8tNAPAldose reductase1.1.1.210.577
2pfhNDPAldose reductase1.1.1.210.551
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.546
3o3rNAPAldose reductase-related protein 11.1.1.210.513
3qkzNAPAldose reductase-related protein 11.1.1.210.508
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.499
4xo7NAPAldo-keto reductase family 1 member C2/0.471
1k8cNAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.470
1r38NAPNAD(P)H-dependent D-xylose reductase1.1.1.3070.459
4g5dNDPProstaglandin F synthase1.1.1.1880.455
2hdjNDPAldo-keto reductase family 1 member C2/0.453
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.452
1s1rNAPAldo-keto reductase family 1 member C3/0.447
3h7rNAPAldo-keto reductase family 4 member C8/0.447
4l1xNAPAldo-keto reductase family 1 member C2/0.445