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
4i9h	1E4	L-lactate dehydrogenase A chain	1.1.1.27

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4i9h	1E4	L-lactate dehydrogenase A chain	1.1.1.27	1.000
4i9n	1E5	L-lactate dehydrogenase A chain	1.1.1.27	0.574
4i8x	6P3	L-lactate dehydrogenase A chain	1.1.1.27	0.514
3h3f	NAI	L-lactate dehydrogenase A chain	1.1.1.27	0.484
4i1i	NAD	Malate dehydrogenase	/	0.477
1wzi	NDP	Malate dehydrogenase	/	0.475
2znq	401	Peroxisome proliferator-activated receptor delta	/	0.449
3m2u	COM	Methyl-coenzyme M reductase I subunit alpha	2.8.4.1	0.448
2x0i	NAI	Malate dehydrogenase	/	0.447
4epl	JAI	Jasmonic acid-amido synthetase JAR1	6.3.2	0.447
1bmd	NAD	Malate dehydrogenase	/	0.445
1bdm	NAX	Malate dehydrogenase	/	0.442
1b8u	NAD	Malate dehydrogenase	/	0.441