scPDB - Distribution of Cavity Similarity values of 3um8 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
3um8	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
3um8	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	1.000
4dpd	DHF	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.601
3um5	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.596
3um6	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.594
3qg2	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.588
3qgt	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.577
1j3j	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.565
3qly	55V	Uncharacterized protein	/	0.565
1j3i	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.557
3jsu	KA5	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.551
1j3k	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.547
2bla	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.543
3dg8	RJ6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.534
2blb	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.531
3dga	RJ1	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.525
3iro	2CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.523
4h96	14Q	Dihydrofolate reductase	1.5.1.3	0.522
4dph	P65	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.516
1aoe	GW3	Dihydrofolate reductase	1.5.1.3	0.515
1m78	CLZ	Dihydrofolate reductase	1.5.1.3	0.515
3qfx	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.514
2fzh	DH1	Dihydrofolate reductase	1.5.1.3	0.513
3dga	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.513
4h97	53S	Dihydrofolate reductase	1.5.1.3	0.513
4ixe	IXE	Dihydrofolate reductase	1.5.1.3	0.512
3inv	C50	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.507
3eek	53S	Uncharacterized protein	/	0.505
1daj	MOT	Dihydrofolate reductase	1.5.1.3	0.504
1vj3	TAB	Dihydrofolate reductase	1.5.1.3	0.498
3qlx	QLR	Uncharacterized protein	/	0.498
1cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.497
3kjs	DQ1	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.495
3cse	N22	Uncharacterized protein	/	0.493
2bl9	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.490
3qls	55V	Dihydrofolate reductase	1.5.1.3	0.490
2fzi	DH3	Dihydrofolate reductase	1.5.1.3	0.489
4h95	06U	Dihydrofolate reductase	1.5.1.3	0.489
1hfq	MOT	Dihydrofolate reductase	1.5.1.3	0.487
1klk	PMD	Dihydrofolate reductase	1.5.1.3	0.487
3dg8	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.487
3irm	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.484
3irn	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.484
1m7a	MQU	Dihydrofolate reductase	1.5.1.3	0.482
3qlw	N22	Dihydrofolate reductase	1.5.1.3	0.481
3eej	53R	Uncharacterized protein	/	0.479
4cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.478
1ly3	COG	Dihydrofolate reductase	1.5.1.3	0.476
1dg5	TOP	Dihydrofolate reductase	1.5.1.3	0.473
1e26	GPB	Dihydrofolate reductase	1.5.1.3	0.473
2zza	FOL	Dihydrofolate reductase	/	0.471
4dp3	MMV	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.471
1ia2	TQ4	Dihydrofolate reductase	1.5.1.3	0.470
1ia3	TQ5	Dihydrofolate reductase	1.5.1.3	0.470
1og5	SWF	Cytochrome P450 2C9	/	0.470
1ia1	TQ3	Dihydrofolate reductase	1.5.1.3	0.468
1m79	MQ1	Dihydrofolate reductase	1.5.1.3	0.468
3eem	53V	Uncharacterized protein	/	0.467
3kjs	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.467
2cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.466
1hfp	MOT	Dihydrofolate reductase	1.5.1.3	0.464
2blc	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.464
4m6l	21V	Dihydrofolate reductase	1.5.1.3	0.464
3qlz	QLZ	Uncharacterized protein	/	0.463
3td8	D2R	Dihydrofolate reductase	1.5.1.3	0.463
3eel	53T	Uncharacterized protein	/	0.462
3inv	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.462
4ixg	IXG	Dihydrofolate reductase	1.5.1.3	0.462
1ia4	TQ6	Dihydrofolate reductase	1.5.1.3	0.460
1ai9	NDP	Dihydrofolate reductase	1.5.1.3	0.459
1q5d	EPB	Epothilone C/D epoxidase	1.14	0.459
3cd2	MTX	Dihydrofolate reductase	1.5.1.3	0.457
4h98	14Q	Uncharacterized protein	/	0.457
4j6c	STR	Cytochrome P450 monooxygenase	/	0.457
4keb	FOL	Dihydrofolate reductase	1.5.1.3	0.456
1kms	LIH	Dihydrofolate reductase	1.5.1.3	0.455
3nmp	PYV	Abscisic acid receptor PYL2	/	0.454
1mp0	NAD	Alcohol dehydrogenase class-3	1.1.1.1	0.453
4ixf	IXF	Dihydrofolate reductase	1.5.1.3	0.453
3qlr	QLR	Dihydrofolate reductase	1.5.1.3	0.452
4eil	FOL	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.450
3hbb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.447
3nrr	D16	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.443
1ddr	MTX	Dihydrofolate reductase	1.5.1.3	0.442
4ib4	ERM	5-hydroxytryptamine receptor 2B	/	0.440