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
2rd6	78P	Poly [ADP-ribose] polymerase 1	2.4.2.30

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2rd6	78P	Poly [ADP-ribose] polymerase 1	2.4.2.30	1.000
3gn7	3GN	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.668
3l3l	L3L	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.598
2rcw	AAI	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.577
3l3m	A92	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.563
3gjw	GJW	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.544
4hhy	15R	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.536
4hhz	15S	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.514
4tvj	09L	Poly [ADP-ribose] polymerase 2	2.4.2.30	0.507
4r5w	XAV	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.502
1uk0	FRM	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.497
4gv7	MEW	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.469
1efy	BZC	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.465
1pax	DHQ	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.462
1uk1	FRQ	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.454