sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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
1yjq	NAP	2-dehydropantoate 2-reductase	1.1.1.169

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
1yjq	NAP	2-dehydropantoate 2-reductase	1.1.1.169	1.000
5hws	NAP	2-dehydropantoate 2-reductase	/	0.533
3hwr	NDP	2-dehydropantoate 2-reductase	/	0.497
1kkq	471	Peroxisome proliferator-activated receptor alpha	/	0.459
3wfj	NAD	2-dehydropantoate 2-reductase	/	0.459
4yr9	NAD	L-threonine 3-dehydrogenase, mitochondrial	1.1.1.103	0.459
4xj4	3AT	Cyclic GMP-AMP synthase	/	0.453
1jol	FFO	Dihydrofolate reductase	1.5.1.3	0.448
3cpp	CAM	Camphor 5-monooxygenase	1.14.15.1	0.447
2gjl	FMN	Nitronate monooxygenase	1.13.12.16	0.445
2a94	AP0	L-lactate dehydrogenase	1.1.1.27	0.444
4q71	FAD	Bifunctional protein PutA	/	0.444
4cp4	CAM	Camphor 5-monooxygenase	1.14.15.1	0.443
4ipw	1G7	Mycocyclosin synthase	1.14.21.9	0.443
4zoh	FAD	Putative oxidoreductase FAD-binding subunit	/	0.443
2g2z	COZ	Malonyl CoA-acyl carrier protein transacylase	2.3.1.39	0.442
2jcv	NDP	1-deoxy-D-xylulose 5-phosphate reductoisomerase	/	0.442
2gjn	FMN	Nitronate monooxygenase	1.13.12.16	0.441
2x0i	NAI	Malate dehydrogenase	/	0.440