scPDB - Distribution of Cavity Similarity values of 3td8 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
3td8	D2R	Dihydrofolate reductase	1.5.1.3

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
3td8	D2R	Dihydrofolate reductase	1.5.1.3	1.000
1vj3	TAB	Dihydrofolate reductase	1.5.1.3	0.679
1cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.657
1ly3	COG	Dihydrofolate reductase	1.5.1.3	0.656
3eel	53T	Uncharacterized protein	/	0.597
3cse	N22	Uncharacterized protein	/	0.595
3qlz	QLZ	Uncharacterized protein	/	0.585
3eek	53S	Uncharacterized protein	/	0.583
2cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.582
3eej	53R	Uncharacterized protein	/	0.567
3cd2	MTX	Dihydrofolate reductase	1.5.1.3	0.566
3qlx	QLR	Uncharacterized protein	/	0.564
3qfx	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.561
4ixe	IXE	Dihydrofolate reductase	1.5.1.3	0.561
1j3i	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.560
3qly	55V	Uncharacterized protein	/	0.559
3eem	53V	Uncharacterized protein	/	0.557
1ly4	COQ	Dihydrofolate reductase	1.5.1.3	0.553
3um6	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.553
1j3k	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.549
2blc	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.549
2fzi	DH3	Dihydrofolate reductase	1.5.1.3	0.549
3qgt	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.546
4dph	P65	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.544
4h97	53S	Dihydrofolate reductase	1.5.1.3	0.542
2fzh	DH1	Dihydrofolate reductase	1.5.1.3	0.541
3kjs	DQ1	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.537
1klk	PMD	Dihydrofolate reductase	1.5.1.3	0.536
3inv	C50	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.535
4h96	14Q	Dihydrofolate reductase	1.5.1.3	0.535
1daj	MOT	Dihydrofolate reductase	1.5.1.3	0.534
3irn	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.533
3qlw	N22	Dihydrofolate reductase	1.5.1.3	0.533
3um5	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.533
1s3y	TQT	Dihydrofolate reductase	1.5.1.3	0.532
1m78	CLZ	Dihydrofolate reductase	1.5.1.3	0.530
1j3j	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.529
2w3v	TOP	Dihydrofolate reductase	/	0.529
1ia1	TQ3	Dihydrofolate reductase	1.5.1.3	0.526
1rx3	MTX	Dihydrofolate reductase	1.5.1.3	0.521
2bl9	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.518
4xe6	06U	Dihydrofolate reductase	1.5.1.3	0.518
4ixf	IXF	Dihydrofolate reductase	1.5.1.3	0.515
4h95	06U	Dihydrofolate reductase	1.5.1.3	0.513
3jsu	KA5	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.512
4ixg	IXG	Dihydrofolate reductase	1.5.1.3	0.512
1dg5	TOP	Dihydrofolate reductase	1.5.1.3	0.511
3dfr	MTX	Dihydrofolate reductase	1.5.1.3	0.507
3dg8	RJ6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.507
3qg2	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.507
3iro	2CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.505
4cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.502
1aoe	GW3	Dihydrofolate reductase	1.5.1.3	0.500
3ia4	MTX	Dihydrofolate reductase	/	0.499
3jw5	TOP	Dihydrofolate reductase	/	0.499
3sa1	6DR	Dihydrofolate reductase	/	0.498
1e26	GPB	Dihydrofolate reductase	1.5.1.3	0.497
3qlr	QLR	Dihydrofolate reductase	1.5.1.3	0.497
4eil	FOL	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.496
3fyw	XCF	Dihydrofolate reductase	1.5.1.3	0.495
1ia2	TQ4	Dihydrofolate reductase	1.5.1.3	0.494
3jwc	EKB	Dihydrofolate reductase	/	0.494
3frd	DHF	Dihydrofolate reductase	1.5.1.3	0.493
1m7a	MQU	Dihydrofolate reductase	1.5.1.3	0.492
2blb	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.490
3clb	TMQ	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.486
3dga	RJ1	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.486
2zza	FOL	Dihydrofolate reductase	/	0.485
3um8	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.483
3d80	Q22	Dihydrofolate reductase	1.5.1.3	0.482
3sa2	7DR	Dihydrofolate reductase	/	0.481
4ky4	04J	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.480
3srq	Q19	Dihydrofolate reductase	1.5.1.3	0.479
4dp3	MMV	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.478
1dg7	WRB	Dihydrofolate reductase	1.5.1.3	0.477
3qls	55V	Dihydrofolate reductase	1.5.1.3	0.477
4g8z	TOP	Dihydrofolate reductase	1.5.1.3	0.473
3jwm	5WB	Dihydrofolate reductase	/	0.472
4dpd	DHF	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.472
1ia4	TQ6	Dihydrofolate reductase	1.5.1.3	0.471
4kak	06U	Dihydrofolate reductase	1.5.1.3	0.471
4x5f	FOL	Dihydrofolate reductase	1.5.1.3	0.471
1kms	LIH	Dihydrofolate reductase	1.5.1.3	0.470
1ia3	TQ5	Dihydrofolate reductase	1.5.1.3	0.469
3sh2	5DR	Dihydrofolate reductase	1.5.1.3	0.469
4ele	31I	Dihydrofolate reductase	/	0.467
4p66	MTX	Dihydrofolate reductase	/	0.466
1df7	MTX	Dihydrofolate reductase	1.5.1.3	0.465
3irm	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.465
1hfq	MOT	Dihydrofolate reductase	1.5.1.3	0.464
3fre	TOP	Dihydrofolate reductase	1.5.1.3	0.464
3ghv	GHC	Dihydrofolate reductase	1.5.1.3	0.463
3sai	9DR	Dihydrofolate reductase	/	0.462
4nx6	FOL	Dihydrofolate reductase	1.5.1.3	0.461
1og5	SWF	Cytochrome P450 2C9	/	0.459
4elg	52J	Dihydrofolate reductase	/	0.459
4m2x	TMQ	Dihydrofolate reductase	1.5.1.3	0.459
2bla	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.457
3tq9	MTX	Dihydrofolate reductase	/	0.457
4ib4	ERM	5-hydroxytryptamine receptor 2B	/	0.455
3fra	I2H	Dihydrofolate reductase	1.5.1.3	0.454
3qlr	NDP	Dihydrofolate reductase	1.5.1.3	0.454
3tky	N7I	(Iso)eugenol O-methyltransferase	2.1.1.146	0.454
3tqb	FOL	Dihydrofolate reductase	/	0.454
4fgg	0U5	Dihydrofolate reductase	1.5.1.3	0.454
4j6d	TES	Cytochrome P450 monooxygenase	/	0.454
4nx7	FOL	Dihydrofolate reductase	1.5.1.3	0.451
3a1l	2CC	Cytochrome P450	/	0.450
3fy9	XCF	Dihydrofolate reductase	1.5.1.3	0.450
3aba	FLI	Cytochrome P450	/	0.448
2w9s	TOP	Dihydrofolate reductase type 1 from Tn4003	1.5.1.3	0.447
2z3u	CRR	Cytochrome P450	/	0.447
4m6l	21V	Dihydrofolate reductase	1.5.1.3	0.447
4kbn	25U	Dihydrofolate reductase	1.5.1.3	0.446
1ai9	NDP	Dihydrofolate reductase	1.5.1.3	0.445
4ia2	BIV	Vitamin D3 receptor A	/	0.445
1dds	MTX	Dihydrofolate reductase	1.5.1.3	0.443
2h2q	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.443
4kd7	9DR	Dihydrofolate reductase	1.5.1.3	0.443
3qls	NDP	Dihydrofolate reductase	1.5.1.3	0.442
4elb	34S	Dihydrofolate reductase	/	0.442
1hfp	MOT	Dihydrofolate reductase	1.5.1.3	0.441
1jol	FFO	Dihydrofolate reductase	1.5.1.3	0.440
3inv	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.440