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
2rcw	AAI	Poly [ADP-ribose] polymerase 1	2.4.2.30

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity	Align
2rcw	AAI	Poly [ADP-ribose] polymerase 1	2.4.2.30	1.000
2rd6	78P	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.551
3gjw	GJW	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.547
3l3l	L3L	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.544
4r5w	XAV	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.501
4hhz	15S	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.500
1uk0	FRM	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.496
4hhy	15R	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.496
4tvj	09L	Poly [ADP-ribose] polymerase 2	2.4.2.30	0.486
3l3m	A92	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.484
4l6s	1WQ	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.484
3gn7	3GN	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.462
1efy	BZC	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.450
4gv7	MEW	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.445