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
4elf	35I	Dihydrofolate reductase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
4elf	35I	Dihydrofolate reductase	/	1.000
4ele	31I	Dihydrofolate reductase	/	0.666
3fl8	RAR	Dihydrofolate reductase	/	0.655
4elh	53I	Dihydrofolate reductase	/	0.578
4elg	52J	Dihydrofolate reductase	/	0.567
4elb	34R	Dihydrofolate reductase	/	0.561
4elb	34S	Dihydrofolate reductase	/	0.540
2qk8	MTX	Dihydrofolate reductase	/	0.515
2w9s	TOP	Dihydrofolate reductase type 1 from Tn4003	1.5.1.3	0.501
1diu	BDM	Dihydrofolate reductase	1.5.1.3	0.487
3fl9	TOP	Dihydrofolate reductase	/	0.485
3clb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.461
3irm	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.459
1dhj	MTX	Dihydrofolate reductase	1.5.1.3	0.457
3och	2MX	Dihydrofolate reductase	1.5.1.3	0.455
1dis	BDM	Dihydrofolate reductase	1.5.1.3	0.454
3qls	NDP	Dihydrofolate reductase	1.5.1.3	0.451
1drf	FOL	Dihydrofolate reductase	1.5.1.3	0.443