scPDB - Distribution of Cavity Similarity values of 3inv 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
3inv	C50	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
3inv	C50	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	1.000
3inv	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.769
3kjs	DQ1	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.614
3eej	53R	Uncharacterized protein	/	0.589
3eek	53S	Uncharacterized protein	/	0.577
4h98	14Q	Uncharacterized protein	/	0.576
3qlx	QLR	Uncharacterized protein	/	0.575
3qfx	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.574
3qly	55V	Uncharacterized protein	/	0.573
3um6	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.569
1cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.566
3eem	53V	Uncharacterized protein	/	0.566
3irn	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.566
3cse	N22	Uncharacterized protein	/	0.563
3irm	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.560
3eel	53T	Uncharacterized protein	/	0.556
3qg2	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.553
1j3j	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.550
3qlw	N22	Dihydrofolate reductase	1.5.1.3	0.550
3qgt	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.541
3qlz	QLZ	Uncharacterized protein	/	0.541
1j3k	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.539
2fzi	DH3	Dihydrofolate reductase	1.5.1.3	0.539
3um5	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.538
1m78	CLZ	Dihydrofolate reductase	1.5.1.3	0.536
3dfr	MTX	Dihydrofolate reductase	1.5.1.3	0.529
1j3i	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.525
3qls	55V	Dihydrofolate reductase	1.5.1.3	0.525
2fzh	DH1	Dihydrofolate reductase	1.5.1.3	0.524
3iro	2CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.524
3clb	TMQ	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.523
3kjs	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.522
1vj3	TAB	Dihydrofolate reductase	1.5.1.3	0.516
2blc	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.515
2cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.515
3fre	TOP	Dihydrofolate reductase	1.5.1.3	0.514
1dg7	WRB	Dihydrofolate reductase	1.5.1.3	0.513
2bl9	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.512
3jsu	KA5	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.512
4ixe	IXE	Dihydrofolate reductase	1.5.1.3	0.512
3dga	RJ1	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.509
3um8	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.509
1aoe	GW3	Dihydrofolate reductase	1.5.1.3	0.508
1dg5	TOP	Dihydrofolate reductase	1.5.1.3	0.508
3td8	D2R	Dihydrofolate reductase	1.5.1.3	0.504
1daj	MOT	Dihydrofolate reductase	1.5.1.3	0.500
1m7a	MQU	Dihydrofolate reductase	1.5.1.3	0.497
4h96	14Q	Dihydrofolate reductase	1.5.1.3	0.497
3qlr	QLR	Dihydrofolate reductase	1.5.1.3	0.495
4dpd	DHF	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.494
2w3v	TOP	Dihydrofolate reductase	/	0.493
1klk	PMD	Dihydrofolate reductase	1.5.1.3	0.491
4cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.489
2zza	FOL	Dihydrofolate reductase	/	0.488
1hfq	MOT	Dihydrofolate reductase	1.5.1.3	0.486
3ia4	MTX	Dihydrofolate reductase	/	0.486
3cd2	MTX	Dihydrofolate reductase	1.5.1.3	0.485
1s3y	TQT	Dihydrofolate reductase	1.5.1.3	0.484
3srq	Q19	Dihydrofolate reductase	1.5.1.3	0.483
3dga	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.482
3frd	DHF	Dihydrofolate reductase	1.5.1.3	0.477
4fgg	0U5	Dihydrofolate reductase	1.5.1.3	0.477
1e26	GPB	Dihydrofolate reductase	1.5.1.3	0.476
2blb	CP7	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.476
1df7	MTX	Dihydrofolate reductase	1.5.1.3	0.474
2bla	CP6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.474
4dp3	MMV	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.474
4ixg	IXG	Dihydrofolate reductase	1.5.1.3	0.474
1dds	MTX	Dihydrofolate reductase	1.5.1.3	0.473
1ia2	TQ4	Dihydrofolate reductase	1.5.1.3	0.473
4m2x	TMQ	Dihydrofolate reductase	1.5.1.3	0.473
1rx3	MTX	Dihydrofolate reductase	1.5.1.3	0.472
4dph	P65	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.472
4xe6	06U	Dihydrofolate reductase	1.5.1.3	0.472
3fyw	XCF	Dihydrofolate reductase	1.5.1.3	0.469
4h97	53S	Dihydrofolate reductase	1.5.1.3	0.469
3dg8	RJ6	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.468
3jwc	EKB	Dihydrofolate reductase	/	0.468
4x5f	FOL	Dihydrofolate reductase	1.5.1.3	0.468
3sa2	7DR	Dihydrofolate reductase	/	0.467
1ia4	TQ6	Dihydrofolate reductase	1.5.1.3	0.465
1rb3	MTX	Dihydrofolate reductase	1.5.1.3	0.465
4p66	MTX	Dihydrofolate reductase	/	0.463
4ixf	IXF	Dihydrofolate reductase	1.5.1.3	0.462
1ly3	COG	Dihydrofolate reductase	1.5.1.3	0.461
1ia1	TQ3	Dihydrofolate reductase	1.5.1.3	0.460
3sa1	6DR	Dihydrofolate reductase	/	0.459
3jwm	5WB	Dihydrofolate reductase	/	0.455
4kbn	25U	Dihydrofolate reductase	1.5.1.3	0.455
1diu	BDM	Dihydrofolate reductase	1.5.1.3	0.454
4eil	FOL	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.454
1hfp	MOT	Dihydrofolate reductase	1.5.1.3	0.449
1tdr	MTX	Dihydrofolate reductase	1.5.1.3	0.448
2acw	UPG	Glycosyltransferase	/	0.448
3nrr	D16	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.448
1dis	BDM	Dihydrofolate reductase	1.5.1.3	0.445
1og5	SWF	Cytochrome P450 2C9	/	0.444
3jw5	TOP	Dihydrofolate reductase	/	0.443
4kd7	9DR	Dihydrofolate reductase	1.5.1.3	0.443
3m08	RAR	Dihydrofolate reductase	1.5.1.3	0.442
3rg9	WRA	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.442
2drc	MTX	Dihydrofolate reductase	1.5.1.3	0.441
2w9s	TOP	Dihydrofolate reductase type 1 from Tn4003	1.5.1.3	0.441
3eig	MTX	Dihydrofolate reductase	1.5.1.3	0.441
4kak	06U	Dihydrofolate reductase	1.5.1.3	0.441
4kfj	1R0	Dihydrofolate reductase	1.5.1.3	0.441
1jio	DEB	6-deoxyerythronolide B hydroxylase	/	0.440
3frf	XCF	Dihydrofolate reductase	1.5.1.3	0.440
4r20	AER	Cytochrome P450 family 17 polypeptide 2	/	0.440
4x5g	FOL	Dihydrofolate reductase	1.5.1.3	0.440