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
2vk8	TPP	Pyruvate decarboxylase isozyme 1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2vk8	TPP	Pyruvate decarboxylase isozyme 1	/	1.000
2w93	TPP	Pyruvate decarboxylase isozyme 1	/	0.542
1ovm	TPP	Indole-3-pyruvate decarboxylase	4.1.1.74	0.528
2q5q	TPW	Indole-3-pyruvate decarboxylase	4.1.1.74	0.481
2q5o	PPY	Indole-3-pyruvate decarboxylase	4.1.1.74	0.477
1pvd	TPP	Pyruvate decarboxylase isozyme 1	/	0.469
3qpv	ADP	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	2.7.1.105	0.465
2ji9	TPW	Oxalyl-CoA decarboxylase	4.1.1.8	0.458
2q5q	KPV	Indole-3-pyruvate decarboxylase	4.1.1.74	0.458
1tj0	FAD	Bifunctional protein PutA	1.5.5.2	0.452
2vk4	TPP	Pyruvate decarboxylase	4.1.1.1	0.447
4hfr	14M	Corticosteroid 11-beta-dehydrogenase isozyme 1	1.1.1.146	0.447
3kjs	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.446
2giv	ACO	Histone acetyltransferase KAT8	/	0.444
4iql	FMN	Enoyl-(Acyl-carrier-protein) reductase II	/	0.444
4jub	TPP	Benzoylformate decarboxylase	4.1.1.7	0.443
2c31	TZD	Oxalyl-CoA decarboxylase	4.1.1.8	0.440
2j3j	HC4	NADPH-dependent oxidoreductase 2-alkenal reductase	1.3.1.74	0.440