scPDB - Distribution of Cavity Similarity values of 1asc entry / Site 1

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
1asc	NPL	Aspartate aminotransferase	2.6.1.1

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
1asc	NPL	Aspartate aminotransferase	2.6.1.1	1.000
3qpg	3QP	Aspartate aminotransferase	2.6.1.1	0.611
1cq8	PY6	Aspartate aminotransferase	2.6.1.1	0.603
4dbc	3QP	Aspartate aminotransferase	2.6.1.1	0.588
1cq7	PY5	Aspartate aminotransferase	2.6.1.1	0.564
1cq6	PY4	Aspartate aminotransferase	2.6.1.1	0.552
1toi	HCI	Aspartate aminotransferase	2.6.1.1	0.549
1akb	PPD	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.548
1maq	PGU	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.538
1map	KET	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.514
1akc	PPE	Aspartate aminotransferase, mitochondrial	2.6.1.1	0.513
2gev	COK	Pantothenate kinase	2.7.1.33	0.499
1arg	PPD	Aspartate aminotransferase	2.6.1.1	0.497
1ahg	TYR_PLP	Aspartate aminotransferase	2.6.1.1	0.494
1toj	HCI	Aspartate aminotransferase	2.6.1.1	0.491
2get	COK	Pantothenate kinase	2.7.1.33	0.488
4bfs	ZVS	Pantothenate kinase	2.7.1.33	0.482
1eyy	NAP	NADP-dependent fatty aldehyde dehydrogenase	1.2.1.4	0.473
2anb	5GP	Guanylate kinase	2.7.4.8	0.471
2zs8	ADP	Pantothenate kinase	2.7.1.33	0.471
2ges	COK	Pantothenate kinase	2.7.1.33	0.470
1ses	AHX	Serine--tRNA ligase	6.1.1.11	0.463
3frk	TQP	QdtB	/	0.462
2zsb	ADP	Pantothenate kinase	2.7.1.33	0.461
2qta	TDP	Pyruvate dehydrogenase E1 component	1.2.4.1	0.459
3otw	COA	Phosphopantetheine adenylyltransferase	/	0.456
2a5h	SAM	L-lysine 2,3-aminomutase	5.4.3.2	0.455
2ptf	FMN	Uncharacterized protein MTH_863	/	0.455
3dr7	GPD	GDP-perosamine synthase	/	0.455
3qiy	QI1	Botulinum neurotoxin type A	3.4.24.69	0.453
2rdn	1PL	1-deoxypentalenic acid 11-beta-hydroxylase	1.14.11.35	0.452
4fhd	0TT	Spore photoproduct lyase	/	0.452
1x28	PGU	Aspartate aminotransferase	2.6.1.1	0.451
2geu	COK	Pantothenate kinase	2.7.1.33	0.451
3fvl	BHK	Carboxypeptidase A1	3.4.17.1	0.451
1i59	ANP	Chemotaxis protein CheA	2.7.13.3	0.449
3af1	GDP	Pantothenate kinase	2.7.1.33	0.449
1z41	FMN	NADPH dehydrogenase	/	0.448
3q43	D66	M1 family aminopeptidase	3.4.11	0.448
4d9e	LCS	D-cysteine desulfhydrase	/	0.447
3aez	GDP	Pantothenate kinase	2.7.1.33	0.446
4q7f	3D1	Uncharacterized protein	/	0.446
4bfy	ZVY	Pantothenate kinase	2.7.1.33	0.445
1fdi	MGD	Formate dehydrogenase H	1.1.99.33	0.444
3af2	ACP	Pantothenate kinase	2.7.1.33	0.444
1lnm	DTX	Bilin-binding protein	/	0.443
2ay5	IOP	Aromatic-amino-acid aminotransferase	2.6.1.57	0.443
1tou	B1V	Fatty acid-binding protein, adipocyte	/	0.442
3tqc	ADP	Pantothenate kinase	/	0.442
4ba5	PXG	Probable aminotransferase	/	0.442
1xjq	ADP	Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1	2.7.1.25	0.441
3td7	FAD	Probable FAD-linked sulfhydryl oxidase R596	1.8.3.2	0.441
4bfx	ZVX	Pantothenate kinase	2.7.1.33	0.441
4dyb	0MH	Nucleoprotein	/	0.441