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
3gn7	3GN	Poly [ADP-ribose] polymerase 1	2.4.2.30

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
3gn7	3GN	Poly [ADP-ribose] polymerase 1	2.4.2.30	1.000
2rd6	78P	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.639
3gjw	GJW	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.536
3l3m	A92	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.536
3l3l	L3L	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.499
2rcw	AAI	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.480
4hhy	15R	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.480
4r5w	XAV	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.480
4hhz	15S	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.476
1uk0	FRM	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.467
1efy	BZC	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.451
4tvj	09L	Poly [ADP-ribose] polymerase 2	2.4.2.30	0.451
1pax	DHQ	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.447