scPDB - Distribution of Cavity Similarity values of 3ghr 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
3ghr	LDT	Aldose reductase	1.1.1.21

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
3ghr	LDT	Aldose reductase	1.1.1.21	1.000
3ghs	LDT	Aldose reductase	1.1.1.21	0.874
3ght	LDT	Aldose reductase	1.1.1.21	0.786
2i16	LDT	Aldose reductase	1.1.1.21	0.772
2i17	LDT	Aldose reductase	1.1.1.21	0.755
3ld5	LDT	Aldose reductase	1.1.1.21	0.730
2fz8	ZST	Aldose reductase	1.1.1.21	0.727
3ghu	LDT	Aldose reductase	1.1.1.21	0.723
2hvo	ZST	Aldose reductase	1.1.1.21	0.693
2iki	388	Aldose reductase	1.1.1.21	0.687
3g5e	Q74	Aldose reductase	1.1.1.21	0.685
1us0	LDT	Aldose reductase	1.1.1.21	0.673
1z3n	3NA	Aldose reductase	1.1.1.21	0.668
2pdl	TOL	Aldose reductase	1.1.1.21	0.654
2dv0	ZST	Aldose reductase	1.1.1.21	0.650
2dux	ZST	Aldose reductase	1.1.1.21	0.645
3m64	393	Aldose reductase	1.1.1.21	0.639
2duz	ZST	Aldose reductase	1.1.1.21	0.638
1z89	62P	Aldose reductase	1.1.1.21	0.632
2hv5	ZST	Aldose reductase	1.1.1.21	0.627
2qxw	LDT	Aldose reductase	1.1.1.21	0.625
2pzn	393	Aldose reductase	1.1.1.21	0.619
2pdp	393	Aldose reductase	1.1.1.21	0.611
4gca	2X9	Aldose reductase	1.1.1.21	0.610
3mb9	ZST	Aldose reductase	1.1.1.21	0.609
1pwl	BFI	Aldose reductase	1.1.1.21	0.606
1t40	ID5	Aldose reductase	1.1.1.21	0.598
2pdb	ZST	Aldose reductase	1.1.1.21	0.595
1iei	ZES	Aldose reductase	1.1.1.21	0.594
3mc5	393	Aldose reductase	1.1.1.21	0.590
3lql	LDT	Aldose reductase	1.1.1.21	0.586
2pdu	393	Aldose reductase	1.1.1.21	0.584
2pdx	ZST	Aldose reductase	1.1.1.21	0.582
3m0i	ZST	Aldose reductase	1.1.1.21	0.582
2pdh	47D	Aldose reductase	1.1.1.21	0.581
2pdg	47D	Aldose reductase	1.1.1.21	0.578
2pdn	47D	Aldose reductase	1.1.1.21	0.578
2ikh	LIT	Aldose reductase	1.1.1.21	0.577
2fz9	ZST	Aldose reductase	1.1.1.21	0.576
3t42	3T4	Aldose reductase	1.1.1.21	0.573
2pdf	ZST	Aldose reductase	1.1.1.21	0.568
3m4h	388	Aldose reductase	1.1.1.21	0.568
2pdc	393	Aldose reductase	1.1.1.21	0.565
3lbo	LDT	Aldose reductase	1.1.1.21	0.564
3len	ZST	Aldose reductase	1.1.1.21	0.561
2pdq	47D	Aldose reductase	1.1.1.21	0.556
2ikj	393	Aldose reductase	1.1.1.21	0.553
1t41	ID5	Aldose reductase	1.1.1.21	0.552
2pdj	393	Aldose reductase	1.1.1.21	0.552
2pd5	ZST	Aldose reductase	1.1.1.21	0.551
1frb	ZST	Aldose reductase-related protein 2	/	0.549
2iqd	LPA	Aldose reductase	1.1.1.21	0.549
3lz5	LDT	Aldose reductase	1.1.1.21	0.544
2pdy	FID	Aldose reductase	1.1.1.21	0.542
2inz	OHP	Aldose reductase	1.1.1.21	0.541
2fzd	TOL	Aldose reductase	1.1.1.21	0.540
1zua	TOL	Aldo-keto reductase family 1 member B10	1.1.1	0.532
4yu1	53N	Aldose reductase	1.1.1.21	0.524
2pdw	FID	Aldose reductase	1.1.1.21	0.521
1el3	I84	Aldose reductase	1.1.1.21	0.518
1ah3	TOL	Aldose reductase	1.1.1.21	0.499
2f2k	TGG	Aldose reductase	1.1.1.21	0.497
3u2c	SUZ	Aldose reductase	1.1.1.21	0.484
1lnm	DTX	Bilin-binding protein	/	0.482
2fzb	TOL	Aldose reductase	1.1.1.21	0.481
1p91	SAM	23S rRNA (guanine(745)-N(1))-methyltransferase	/	0.479
4ga8	SBI	Aldo-keto reductase family 1 member B10	1.1.1	0.477
3zec	ANP	Adenosine monophosphate-protein transferase SoFic	2.7.7.n1	0.475
1yw7	A41	Methionine aminopeptidase 2	/	0.474
5liu	388	Aldo-keto reductase family 1 member B10	1.1.1	0.472
2is7	2CL	Aldose reductase	1.1.1.21	0.468
4d2d	ALA_ALA_ALA	Di-or tripeptide:H+ symporter	/	0.466
1x8l	OXR	Retinol dehydratase	/	0.465
2ea4	F79	Methionine aminopeptidase 2	/	0.464
2zsb	ADP	Pantothenate kinase	2.7.1.33	0.463
3s3g	TLT	Aldose reductase	1.1.1.21	0.462
3v35	NTI	Aldose reductase	1.1.1.21	0.461
2f38	15M	Aldo-keto reductase family 1 member C3	/	0.459
2xup	TZ5	Acetylcholinesterase	3.1.1.7	0.459
3zv7	NHG	Acetylcholinesterase	3.1.1.7	0.459
4u16	3C0	Muscarinic acetylcholine receptor M3	/	0.459
1lke	DOG	Bilin-binding protein	/	0.458
1q83	TZ5	Acetylcholinesterase	3.1.1.7	0.458
4dbs	0HV	Aldo-keto reductase family 1 member C3	/	0.458
1e66	HUX	Acetylcholinesterase	3.1.1.7	0.456
1ihi	IU5	Aldo-keto reductase family 1 member C2	/	0.454
1umc	TDP	2-oxoisovalerate dehydrogenase subunit alpha	1.2.4.4	0.454
1umc	TDP	2-oxoisovalerate dehydrogenase subunit beta	1.2.4.4	0.454
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	0.454
2cek	N8T	Acetylcholinesterase	3.1.1.7	0.453
1odc	A8B	Acetylcholinesterase	3.1.1.7	0.452
2xnv	VU3	Soluble acetylcholine receptor	/	0.451
1ah0	SBI	Aldose reductase	1.1.1.21	0.450
2agt	FID	Aldose reductase	1.1.1.21	0.450
2xuj	TZ5	Acetylcholinesterase	3.1.1.7	0.450
1yw9	A84	Methionine aminopeptidase 2	/	0.449
4c2z	646	Glycylpeptide N-tetradecanoyltransferase 1	/	0.449
4lsa	BLD	Protein BRASSINOSTEROID INSENSITIVE 1	2.7.10.1	0.449
2gev	COK	Pantothenate kinase	2.7.1.33	0.448
2xuq	TZ4	Acetylcholinesterase	3.1.1.7	0.448
3f3y	4OA	Bile salt sulfotransferase	2.8.2.14	0.448
1efy	BZC	Poly [ADP-ribose] polymerase 1	2.4.2.30	0.446
2cbq	TH2	Neocarzinostatin	/	0.446
2nvc	ITA	Aldose reductase	1.1.1.21	0.446
3af0	GDP	Pantothenate kinase	2.7.1.33	0.446
3af4	GCP	Pantothenate kinase	2.7.1.33	0.446
2aot	2PM	Histamine N-methyltransferase	2.1.1.8	0.445
2w6c	BM4	Acetylcholinesterase	3.1.1.7	0.445
3r8h	ZOM	Aldo-keto reductase family 1 member C3	/	0.444
3tfu	PL8	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase	2.6.1.62	0.444
2ada	HPR	Adenosine deaminase	3.5.4.4	0.443
3g58	988	cAMP-specific 3',5'-cyclic phosphodiesterase 4D	3.1.4.53	0.443
3q9b	B3N	Acetylpolyamine amidohydrolase	/	0.443
4b11	7I1	Glycylpeptide N-tetradecanoyltransferase	/	0.443
2vqq	TFG	Histone deacetylase 4	3.5.1.98	0.442
2xi4	AFT	Acetylcholinesterase	3.1.1.7	0.442
3mjr	AC2	Deoxycytidine kinase	2.7.1.74	0.442
4pab	THG	Dimethylglycine dehydrogenase, mitochondrial	1.5.8.4	0.442
1o1s	1NH	Protein farnesyltransferase subunit beta	2.5.1.58	0.441
2fap	RAD	Peptidyl-prolyl cis-trans isomerase FKBP1A	5.2.1.8	0.441
2fap	RAD	Serine/threonine-protein kinase mTOR	2.7.11.1	0.441
2zse	ACP	Pantothenate kinase	2.7.1.33	0.441
3af1	GDP	Pantothenate kinase	2.7.1.33	0.441
2c1z	KMP	Anthocyanidin 3-O-glucosyltransferase 2	2.4.1.115	0.440
4dbw	511	Aldo-keto reductase family 1 member C3	/	0.440
4ey6	GNT	Acetylcholinesterase	3.1.1.7	0.440
4lcn	GNG	Cytidine and deoxycytidylate deaminase zinc-binding region	/	0.440