scPDB - Distribution of Cavity Similarity values of 2ikh entry / Site 1

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
2ikh	LIT	Aldose reductase	1.1.1.21

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
2ikh	LIT	Aldose reductase	1.1.1.21	1.000
2fz8	ZST	Aldose reductase	1.1.1.21	0.722
3m64	393	Aldose reductase	1.1.1.21	0.712
1t40	ID5	Aldose reductase	1.1.1.21	0.709
2dv0	ZST	Aldose reductase	1.1.1.21	0.709
3lql	LDT	Aldose reductase	1.1.1.21	0.703
1z3n	3NA	Aldose reductase	1.1.1.21	0.700
1z89	62P	Aldose reductase	1.1.1.21	0.700
2ikj	393	Aldose reductase	1.1.1.21	0.692
3lbo	LDT	Aldose reductase	1.1.1.21	0.688
2iki	388	Aldose reductase	1.1.1.21	0.684
2hv5	ZST	Aldose reductase	1.1.1.21	0.664
2i16	LDT	Aldose reductase	1.1.1.21	0.649
1t41	ID5	Aldose reductase	1.1.1.21	0.644
2fz9	ZST	Aldose reductase	1.1.1.21	0.644
2qxw	LDT	Aldose reductase	1.1.1.21	0.635
2pdl	TOL	Aldose reductase	1.1.1.21	0.626
3ghr	LDT	Aldose reductase	1.1.1.21	0.623
3ld5	LDT	Aldose reductase	1.1.1.21	0.622
2pdx	ZST	Aldose reductase	1.1.1.21	0.618
3m4h	388	Aldose reductase	1.1.1.21	0.610
4gca	2X9	Aldose reductase	1.1.1.21	0.609
2duz	ZST	Aldose reductase	1.1.1.21	0.606
3len	ZST	Aldose reductase	1.1.1.21	0.598
2pdc	393	Aldose reductase	1.1.1.21	0.596
2hvo	ZST	Aldose reductase	1.1.1.21	0.593
2dux	ZST	Aldose reductase	1.1.1.21	0.590
2pdb	ZST	Aldose reductase	1.1.1.21	0.589
2pd5	ZST	Aldose reductase	1.1.1.21	0.588
2pdf	ZST	Aldose reductase	1.1.1.21	0.586
3t42	3T4	Aldose reductase	1.1.1.21	0.585
2pdp	393	Aldose reductase	1.1.1.21	0.582
3ghs	LDT	Aldose reductase	1.1.1.21	0.580
2pdg	47D	Aldose reductase	1.1.1.21	0.579
2pzn	393	Aldose reductase	1.1.1.21	0.577
4yu1	53N	Aldose reductase	1.1.1.21	0.575
3g5e	Q74	Aldose reductase	1.1.1.21	0.571
3ghu	LDT	Aldose reductase	1.1.1.21	0.569
3mb9	ZST	Aldose reductase	1.1.1.21	0.567
2pdh	47D	Aldose reductase	1.1.1.21	0.565
2i17	LDT	Aldose reductase	1.1.1.21	0.561
3mc5	393	Aldose reductase	1.1.1.21	0.561
1us0	LDT	Aldose reductase	1.1.1.21	0.559
2pdu	393	Aldose reductase	1.1.1.21	0.557
3lz5	LDT	Aldose reductase	1.1.1.21	0.557
1pwl	BFI	Aldose reductase	1.1.1.21	0.556
3m0i	ZST	Aldose reductase	1.1.1.21	0.556
3ght	LDT	Aldose reductase	1.1.1.21	0.554
2fzd	TOL	Aldose reductase	1.1.1.21	0.544
1iei	ZES	Aldose reductase	1.1.1.21	0.537
2pdn	47D	Aldose reductase	1.1.1.21	0.535
2pdj	393	Aldose reductase	1.1.1.21	0.526
1frb	ZST	Aldose reductase-related protein 2	/	0.509
1el3	I84	Aldose reductase	1.1.1.21	0.506
1ah3	TOL	Aldose reductase	1.1.1.21	0.505
2pdw	FID	Aldose reductase	1.1.1.21	0.487
2agt	FID	Aldose reductase	1.1.1.21	0.485
2pdq	47D	Aldose reductase	1.1.1.21	0.483
2fzb	TOL	Aldose reductase	1.1.1.21	0.482
3k4s	0MO	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.478
2f2k	TGG	Aldose reductase	1.1.1.21	0.475
2bfm	TOP	Pteridine reductase 1	1.5.1.33	0.474
4b11	7I1	Glycylpeptide N-tetradecanoyltransferase	/	0.471
1y2k	7DE	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.469
3hxe	BD8	Geranylgeranyl transferase type-2 subunit beta	2.5.1.60	0.469
1y2c	3DE	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.468
2inz	OHP	Aldose reductase	1.1.1.21	0.468
2cbq	TH2	Neocarzinostatin	/	0.467
2fm5	M99	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.466
1dgh	NDP	Catalase	1.11.1.6	0.464
1uho	VDN	cGMP-specific 3',5'-cyclic phosphodiesterase	/	0.464
2bjs	ACV	Isopenicillin N synthase	1.21.3.1	0.463
4k4e	K4E	Tankyrase-1	2.4.2.30	0.463
3aiq	HBO	4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic	3.2.1.182	0.462
3g4i	D71	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.462
3zky	WT4	Isopenicillin N synthase	1.21.3.1	0.462
3zoi	M2W	Isopenicillin N synthase	1.21.3.1	0.460
3g1r	NAP	3-oxo-5-beta-steroid 4-dehydrogenase	/	0.457
3ny9	JSZ	Beta-2 adrenergic receptor	/	0.456
3v35	NTI	Aldose reductase	1.1.1.21	0.455
1dgb	NDP	Catalase	1.11.1.6	0.454
3u5y	SCG	Raucaffricine-O-beta-D-glucosidase	3.2.1.125	0.454
4e32	DWN	Methyltransferase	/	0.453
1xoq	ROF	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.452
2f38	15M	Aldo-keto reductase family 1 member C3	/	0.452
2zs9	ADP	Pantothenate kinase	2.7.1.33	0.452
1q9m	ROL	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.451
2ea4	F79	Methionine aminopeptidase 2	/	0.451
2fm0	M98	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.451
3aiv	HBO	4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic	3.2.1.182	0.451
4dbs	0HV	Aldo-keto reductase family 1 member C3	/	0.451
4pnm	NU1	Tankyrase-2	2.4.2.30	0.451
1oyn	ROL	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.450
1fmj	RTL	Retinol dehydratase	/	0.449
1ro6	ROL	cAMP-specific 3',5'-cyclic phosphodiesterase 4B	3.1.4.53	0.449
2cek	N8T	Acetylcholinesterase	3.1.1.7	0.448
1xor	ZAR	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.447
1q5m	NDP	Prostaglandin-E(2) 9-reductase	1.1.1.189	0.446
4u16	3C0	Muscarinic acetylcholine receptor M3	/	0.446
1hb1	OCV	Isopenicillin N synthase	1.21.3.1	0.445
1xom	CIO	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.445
1y60	H4M	5,6,7,8-tetrahydromethanopterin hydro-lyase	4.2.1.147	0.445
3sn6	P0G	Beta-2 adrenergic receptor	/	0.445
1tkc	M6T	Transketolase 1	2.2.1.1	0.444
3gey	P34	Poly [ADP-ribose] polymerase 15	2.4.2.30	0.444
8cat	NDP	Catalase	1.11.1.6	0.444
1eko	I84	Aldose reductase	1.1.1.21	0.443
1h22	E10	Acetylcholinesterase	3.1.1.7	0.443
2jb4	A14	Isopenicillin N synthase	1.21.3.1	0.443
3jq8	DX3	Pteridine reductase, putative	/	0.443
4bj9	UHB	Tankyrase-2	2.4.2.30	0.443
4kmz	FOL	Folate receptor beta	/	0.443
4li6	1XO	Tankyrase-1	2.4.2.30	0.443
1ry0	PG2	Aldo-keto reductase family 1 member C3	/	0.442
2vcm	M11	Isopenicillin N synthase	1.21.3.1	0.442
3mjr	AC2	Deoxycytidine kinase	2.7.1.74	0.442
4n3l	2FN	Prothrombin	3.4.21.5	0.442
1bk0	ACV	Isopenicillin N synthase	1.21.3.1	0.441
1p91	SAM	23S rRNA (guanine(745)-N(1))-methyltransferase	/	0.441
3cgt	BCD	Cyclomaltodextrin glucanotransferase	2.4.1.19	0.441
3dop	NAP	3-oxo-5-beta-steroid 4-dehydrogenase	/	0.441
4lsa	BLD	Protein BRASSINOSTEROID INSENSITIVE 1	2.7.10.1	0.441
1w4l	GL8	Acetylcholinesterase	3.1.1.7	0.440
2acl	L05	Oxysterols receptor LXR-alpha	/	0.440
2ipi	AKY	Aclacinomycin-N/aclacinomycin-A oxidase	/	0.440
2y60	M8F	Isopenicillin N synthase	1.21.3.1	0.440
4li7	1XP	Tankyrase-1	2.4.2.30	0.440