sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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
3qfb	FAD	Thioredoxin reductase 1, cytoplasmic	1.8.1.9

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3qfb	FAD	Thioredoxin reductase 1, cytoplasmic	1.8.1.9	1.000
4kpr	FAD	Thioredoxin reductase 1, cytoplasmic	1.8.1.9	0.612
2j3n	FAD	Thioredoxin reductase 1, cytoplasmic	1.8.1.9	0.511
3dgz	FAD	Thioredoxin reductase 2, mitochondrial	1.8.1.9	0.482
1feb	FAD	Trypanothione reductase	1.8.1.12	0.476
2cfy	FAD	Thioredoxin reductase 1, cytoplasmic	1.8.1.9	0.476
1k4q	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.474
1ger	FAD	Glutathione reductase	1.8.1.7	0.469
4j56	FAD	Thioredoxin reductase 2	1.8.1.9	0.466
3sqp	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.463
4gr1	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.450
1grh	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.449
1h6v	FAD	Thioredoxin reductase 1, cytoplasmic	1.8.1.9	0.447
3grs	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.445
2gh5	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.443