scPDB - Distribution of Cavity Similarity values of 3ppr entry / Site 2

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
3ppr	4CS	Glycine betaine/carnitine/choline-binding protein OpuCC

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
3ppr	4CS	Glycine betaine/carnitine/choline-binding protein OpuCC	/	1.000
3ppo	DCK	Glycine betaine/carnitine/choline-binding protein OpuCC	/	0.574
2vat	COA	Acetyl-CoA--deacetylcephalosporin C acetyltransferase	2.3.1.175	0.473
3uox	FAD	2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase	1.14.13.160	0.469
3up4	FAD	2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase	1.14.13.160	0.469
4jnk	ZHK	L-lactate dehydrogenase A chain	1.1.1.27	0.468
1w6h	TIT	Plasmepsin-2	3.4.23.39	0.467
2ztv	NAD	D(-)-3-hydroxybutyrate dehydrogenase	/	0.467
3em0	CHD	Fatty acid-binding protein 6, ileal (gastrotropin)	/	0.467
4epl	JAI	Jasmonic acid-amido synthetase JAR1	6.3.2	0.467
1a9z	UPG	UDP-glucose 4-epimerase	5.1.3.2	0.465
4a86	2AN	Major pollen allergen Bet v 1-A	/	0.465
1kvr	NAD	UDP-glucose 4-epimerase	5.1.3.2	0.460
4frk	DWD	Beta-secretase 1	3.4.23.46	0.460
4a86	H35	Major pollen allergen Bet v 1-A	/	0.459
4a8v	2AN	Major pollen allergen Bet v 1-J	/	0.459
4m49	22Y	L-lactate dehydrogenase A chain	1.1.1.27	0.459
1f8f	NAD	Benzyl alcohol dehydrogenase	/	0.458
4dri	RAP	Serine/threonine-protein kinase mTOR	2.7.11.1	0.458
4dri	RAP	Peptidyl-prolyl cis-trans isomerase FKBP5	5.2.1.8	0.458
3o03	NAP	Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase)	/	0.457
1tll	FMN	Nitric oxide synthase, brain	1.14.13.39	0.456
1x1c	SAH	C-20 methyltransferase	/	0.456
1ydt	IQB	cAMP-dependent protein kinase catalytic subunit alpha	2.7.11.11	0.456
2q1s	NAI	Putative nucleotide sugar epimerase/ dehydratase	/	0.456
2iyf	ERY	Oleandomycin glycosyltransferase	2.4.1	0.455
4boe	CLR	Japanin	/	0.455
1kbo	340	NAD(P)H dehydrogenase [quinone] 1	1.6.5.2	0.454
1me6	IVS	Plasmepsin-2	3.4.23.39	0.454
2v16	C47	Renin	3.4.23.15	0.454
3rpe	FAD	Putative modulator of drug activity	/	0.454
1rne	C60	Renin	3.4.23.15	0.453
4g8j	THM	Uridine phosphorylase	/	0.452
3jus	BCD	Lanosterol 14-alpha demethylase	1.14.13.70	0.451
3kpb	SAM	Uncharacterized protein MJ0100	/	0.451
2is0	I03	Beta-secretase 1	3.4.23.46	0.450
4gz6	12V	UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit	/	0.450
1a9y	UPG	UDP-glucose 4-epimerase	5.1.3.2	0.449
2q2v	NAD	Beta-D-hydroxybutyrate dehydrogenase	/	0.449
4hyv	PEP	Pyruvate kinase 1	2.7.1.40	0.449
1qrp	HH0	Pepsin A-4	3.4.23.1	0.448
2g1n	1IG	Renin	3.4.23.15	0.448
4c13	UML	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase	/	0.448
1lrj	UD1	UDP-glucose 4-epimerase	5.1.3.2	0.447
2fxv	5GP	Xanthine phosphoribosyltransferase	2.4.2.22	0.447
2g1r	3IG	Renin	3.4.23.15	0.447
4a80	2AN	Major pollen allergen Bet v 1-A	/	0.447
3h3q	H13	Collagen type IV alpha-3-binding protein	/	0.446
3qt6	2P0	Mevalonate diphosphate decarboxylase	/	0.446
4gh6	LUO	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	/	0.446
1o9b	NAI	Quinate/shikimate dehydrogenase	/	0.445
2ii6	C5P	Alpha-2,3/2,6-sialyltransferase/sialidase	/	0.445
3skg	PB8	Beta-secretase 1	3.4.23.46	0.445
3ziu	LSS	Leucyl-tRNA synthetase	/	0.445
4e2d	FMN	Dehydrogenase	/	0.445
4hp8	NAP	2-deoxy-D-gluconate 3-dehydrogenase	/	0.445
1uda	UFG	UDP-glucose 4-epimerase	5.1.3.2	0.444
2fj1	CTC	Tetracycline repressor protein class D	/	0.444
3jqp	A2P	Ferredoxin--NADP reductase, apicoplast	/	0.444
4bby	FAD	Alkyldihydroxyacetonephosphate synthase, peroxisomal	2.5.1.26	0.444
4fxy	0W2	Neurolysin, mitochondrial	3.4.24.16	0.444
2cns	ACO	Ribosomal-protein-alanine acetyltransferase	/	0.443
3elb	C5P	Ethanolamine-phosphate cytidylyltransferase	2.7.7.14	0.443
3tr0	5GP	Guanylate kinase	/	0.443
4a87	NAR	Major pollen allergen Bet v 1-A	/	0.443
4nbw	NAD	Short-chain dehydrogenase/reductase SDR	/	0.443
1xe5	5FE	Plasmepsin-2	3.4.23.39	0.442
2j9f	THV	2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial	1.2.4.4	0.442
2j9f	THV	2-oxoisovalerate dehydrogenase subunit beta, mitochondrial	1.2.4.4	0.442
2qbu	SAH	Precorrin-2 methyltransferase	/	0.442
2vkv	TDC	Tetracycline repressor protein class D	/	0.442
2ylr	NAP	Phenylacetone monooxygenase	1.14.13.92	0.442
3otw	COA	Phosphopantetheine adenylyltransferase	/	0.442
3qe2	FMN	NADPH--cytochrome P450 reductase	/	0.442
1h51	FMN	Pentaerythritol tetranitrate reductase	/	0.441
2hfu	MEV	Mevalonate kinase	/	0.441
2hs6	FMN	12-oxophytodienoate reductase 3	1.3.1.42	0.441
3dy8	5GP	High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A	/	0.441
3ms4	21N	Glycogen phosphorylase, muscle form	2.4.1.1	0.441
1h65	GDP	Translocase of chloroplast 34	3.6.5	0.440
2fw3	BUI	Carnitine O-palmitoyltransferase 2, mitochondrial	2.3.1.21	0.440
2ome	NAD	C-terminal-binding protein 2	/	0.440
2qc8	ADP	Glutamine synthetase	6.3.1.2	0.440
3djj	FAD	Glutathione reductase, mitochondrial	1.8.1.7	0.440
3rsv	3RS	Beta-secretase 1	3.4.23.46	0.440
4a6r	TA8	Probable aminotransferase	/	0.440
4rlh	0WE	Enoyl-[acyl-carrier-protein] reductase [NADH]	/	0.440