scPDB - Distribution of Cavity Similarity values of 3iro 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
3iro	2CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
3iro	2CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	1.000
3irn	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.593
3irm	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.575
4h97	53S	Dihydrofolate reductase	1.5.1.3	0.559
1aoe	GW3	Dihydrofolate reductase	1.5.1.3	0.557
3inv	C50	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.552
3um8	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.551
1cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.550
3qlw	N22	Dihydrofolate reductase	1.5.1.3	0.550
3qly	55V	Uncharacterized protein	/	0.550
3kjs	DQ1	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.549
4ixe	IXE	Dihydrofolate reductase	1.5.1.3	0.546
1m78	CLZ	Dihydrofolate reductase	1.5.1.3	0.543
3um6	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.542
3qlr	QLR	Dihydrofolate reductase	1.5.1.3	0.540
3um5	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.540
4h95	06U	Dihydrofolate reductase	1.5.1.3	0.539
4h96	14Q	Dihydrofolate reductase	1.5.1.3	0.538
1daj	MOT	Dihydrofolate reductase	1.5.1.3	0.528
1ia1	TQ3	Dihydrofolate reductase	1.5.1.3	0.524
3eej	53R	Uncharacterized protein	/	0.524
3qfx	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.523
3qgt	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.523
1dg5	TOP	Dihydrofolate reductase	1.5.1.3	0.522
1j3j	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.520
3dga	RJ1	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.520
3eek	53S	Uncharacterized protein	/	0.517
3eel	53T	Uncharacterized protein	/	0.517
3qlx	QLR	Uncharacterized protein	/	0.517
1m7a	MQU	Dihydrofolate reductase	1.5.1.3	0.516
4h98	14Q	Uncharacterized protein	/	0.516
2blb	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.515
3eem	53V	Uncharacterized protein	/	0.515
3qg2	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.515
2fzh	DH1	Dihydrofolate reductase	1.5.1.3	0.514
3cse	N22	Uncharacterized protein	/	0.514
4dpd	DHF	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.513
1vj3	TAB	Dihydrofolate reductase	1.5.1.3	0.508
3clb	TMQ	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.508
3qls	55V	Dihydrofolate reductase	1.5.1.3	0.508
2w3v	TOP	Dihydrofolate reductase	/	0.506
2blc	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.505
2cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.505
1klk	PMD	Dihydrofolate reductase	1.5.1.3	0.504
3dfr	MTX	Dihydrofolate reductase	1.5.1.3	0.504
3dg8	RJ6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.503
3td8	D2R	Dihydrofolate reductase	1.5.1.3	0.503
1ly3	COG	Dihydrofolate reductase	1.5.1.3	0.501
1ia2	TQ4	Dihydrofolate reductase	1.5.1.3	0.500
2bla	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.500
1e26	GPB	Dihydrofolate reductase	1.5.1.3	0.498
1ia4	TQ6	Dihydrofolate reductase	1.5.1.3	0.497
2fzi	DH3	Dihydrofolate reductase	1.5.1.3	0.497
4cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.496
3qlz	QLZ	Uncharacterized protein	/	0.495
1j3k	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.494
1j3i	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.493
3cd2	MTX	Dihydrofolate reductase	1.5.1.3	0.493
1dg7	WRB	Dihydrofolate reductase	1.5.1.3	0.488
2bl9	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.488
1hfq	MOT	Dihydrofolate reductase	1.5.1.3	0.487
4m6l	21V	Dihydrofolate reductase	1.5.1.3	0.485
1m79	MQ1	Dihydrofolate reductase	1.5.1.3	0.484
3tq9	MTX	Dihydrofolate reductase	/	0.484
1ia3	TQ5	Dihydrofolate reductase	1.5.1.3	0.482
1rx3	MTX	Dihydrofolate reductase	1.5.1.3	0.481
3jwc	EKB	Dihydrofolate reductase	/	0.481
1ai9	NDP	Dihydrofolate reductase	1.5.1.3	0.479
1df7	MTX	Dihydrofolate reductase	1.5.1.3	0.477
3inv	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.477
3oaf	OAG	Dihydrofolate reductase	1.5.1.3	0.475
1s3y	TQT	Dihydrofolate reductase	1.5.1.3	0.469
3qlr	NDP	Dihydrofolate reductase	1.5.1.3	0.467
4g8z	TOP	Dihydrofolate reductase	1.5.1.3	0.467
4x5f	FOL	Dihydrofolate reductase	1.5.1.3	0.467
1hfp	MOT	Dihydrofolate reductase	1.5.1.3	0.466
4eil	FOL	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.466
4kbn	25U	Dihydrofolate reductase	1.5.1.3	0.466
3kjs	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.464
3tqb	FOL	Dihydrofolate reductase	/	0.464
3sa1	6DR	Dihydrofolate reductase	/	0.462
3jsu	KA5	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.460
4m2x	TMQ	Dihydrofolate reductase	1.5.1.3	0.460
1pkf	EPD	Epothilone C/D epoxidase	1.14	0.459
4kd7	9DR	Dihydrofolate reductase	1.5.1.3	0.459
3ia4	MTX	Dihydrofolate reductase	/	0.458
3jw5	TOP	Dihydrofolate reductase	/	0.458
2zza	FOL	Dihydrofolate reductase	/	0.457
4ixg	IXG	Dihydrofolate reductase	1.5.1.3	0.457
1ohk	COP	Dihydrofolate reductase	1.5.1.3	0.456
3d84	NDP	Dihydrofolate reductase	1.5.1.3	0.456
3frd	DHF	Dihydrofolate reductase	1.5.1.3	0.456
4fgh	0U6	Dihydrofolate reductase	1.5.1.3	0.455
1q5d	EPB	Epothilone C/D epoxidase	1.14	0.454
3d80	Q22	Dihydrofolate reductase	1.5.1.3	0.454
1qzf	FOL	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.452
3hbb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.452
1dds	MTX	Dihydrofolate reductase	1.5.1.3	0.451
1ly4	COQ	Dihydrofolate reductase	1.5.1.3	0.451
4kjj	FOL	Dihydrofolate reductase	1.5.1.3	0.451
1og5	SWF	Cytochrome P450 2C9	/	0.449
3fra	I2H	Dihydrofolate reductase	1.5.1.3	0.449
4keb	FOL	Dihydrofolate reductase	1.5.1.3	0.449
3ql3	FOL	Dihydrofolate reductase	1.5.1.3	0.448
4g95	OAG	Dihydrofolate reductase	1.5.1.3	0.448
4ky4	04J	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.448
4xe6	06U	Dihydrofolate reductase	1.5.1.3	0.448
3frf	XCF	Dihydrofolate reductase	1.5.1.3	0.446
3qls	NDP	Dihydrofolate reductase	1.5.1.3	0.446
3fyw	XCF	Dihydrofolate reductase	1.5.1.3	0.444
3k47	D09	Dihydrofolate reductase	1.5.1.3	0.444
1kms	LIH	Dihydrofolate reductase	1.5.1.3	0.443
3ghw	GHW	Dihydrofolate reductase	1.5.1.3	0.443
1j3j	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.442
4nx6	FOL	Dihydrofolate reductase	1.5.1.3	0.442
1re7	FOL	Dihydrofolate reductase	1.5.1.3	0.441
3l3r	OAG	Dihydrofolate reductase	1.5.1.3	0.441
3ntz	3TZ	Dihydrofolate reductase	1.5.1.3	0.441
2w3m	FOL	Dihydrofolate reductase	1.5.1.3	0.440