scPDB - Distribution of Cavity Similarity values of 4m6j 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
4m6j	NDP	Dihydrofolate reductase	1.5.1.3

Complex with similar cavities

PDB ID	HET	Uniprot Name	EC Number	Cavity Similarity
4m6j	NDP	Dihydrofolate reductase	1.5.1.3	1.000
3qlr	NDP	Dihydrofolate reductase	1.5.1.3	0.614
1ia1	NDP	Dihydrofolate reductase	1.5.1.3	0.609
1ai9	NDP	Dihydrofolate reductase	1.5.1.3	0.595
1dr2	TAP	Dihydrofolate reductase	1.5.1.3	0.592
3inv	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.591
1dr3	HBI	Dihydrofolate reductase	1.5.1.3	0.588
2dhf	DZF	Dihydrofolate reductase	1.5.1.3	0.588
1dhf	FOL	Dihydrofolate reductase	1.5.1.3	0.586
1m78	NDP	Dihydrofolate reductase	1.5.1.3	0.584
3kjs	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.578
1dr3	TAP	Dihydrofolate reductase	1.5.1.3	0.577
1dr5	NAP	Dihydrofolate reductase	1.5.1.3	0.575
3qls	NDP	Dihydrofolate reductase	1.5.1.3	0.575
2h2q	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.570
1drh	NAP	Dihydrofolate reductase	1.5.1.3	0.568
4g95	OAG	Dihydrofolate reductase	1.5.1.3	0.568
3dga	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.563
1rx1	NAP	Dihydrofolate reductase	1.5.1.3	0.560
1s3u	TQD	Dihydrofolate reductase	1.5.1.3	0.555
3n0h	TOP	Dihydrofolate reductase	1.5.1.3	0.555
3oaf	OAG	Dihydrofolate reductase	1.5.1.3	0.555
2w3b	NDP	Dihydrofolate reductase	1.5.1.3	0.553
1mvs	DTM	Dihydrofolate reductase	1.5.1.3	0.547
3hbb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.546
3s3v	TOP	Dihydrofolate reductase	1.5.1.3	0.545
1u71	MXA	Dihydrofolate reductase	1.5.1.3	0.543
8dfr	NDP	Dihydrofolate reductase	1.5.1.3	0.543
1pd9	CO4	Dihydrofolate reductase	1.5.1.3	0.541
3d84	NDP	Dihydrofolate reductase	1.5.1.3	0.540
3irm	1CY	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.539
3eig	MTX	Dihydrofolate reductase	1.5.1.3	0.537
1dg8	NDP	Dihydrofolate reductase	1.5.1.3	0.535
3clb	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.532
1ra8	FOL	Dihydrofolate reductase	1.5.1.3	0.531
3dg8	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.528
3tqa	NDP	Dihydrofolate reductase	/	0.527
1dds	MTX	Dihydrofolate reductase	1.5.1.3	0.526
1re7	FOL	Dihydrofolate reductase	1.5.1.3	0.522
1j3k	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.518
3nxx	NDP	Dihydrofolate reductase	1.5.1.3	0.514
1j3j	NDP	Bifunctional dihydrofolate reductase-thymidylate synthase	1.5.1.3	0.510
1diu	BDM	Dihydrofolate reductase	1.5.1.3	0.509
1ia4	TQ6	Dihydrofolate reductase	1.5.1.3	0.508
2d0k	FOL	Dihydrofolate reductase	1.5.1.3	0.506
2w9h	TOP	Dihydrofolate reductase	1.5.1.3	0.505
1ddr	MTX	Dihydrofolate reductase	1.5.1.3	0.500
1rb3	MTX	Dihydrofolate reductase	1.5.1.3	0.500
2cig	1DG	Dihydrofolate reductase	1.5.1.3	0.500
1rx8	NAP	Dihydrofolate reductase	1.5.1.3	0.493
3kjr	NAP	Bifunctional dihydrofolate reductase-thymidylate synthase	/	0.493
1drf	FOL	Dihydrofolate reductase	1.5.1.3	0.491
1mvt	DTM	Dihydrofolate reductase	1.5.1.3	0.489
1s3v	TQD	Dihydrofolate reductase	1.5.1.3	0.489
1bzf	TMQ	Dihydrofolate reductase	1.5.1.3	0.488
4kne	1CY	Dihydrofolate reductase	1.5.1.3	0.482
5ecc	NAP	Dehydrofolate reductase type I	/	0.482
4kl9	NDP	Dihydrofolate reductase	1.5.1.3	0.480
1ia3	TQ5	Dihydrofolate reductase	1.5.1.3	0.477
3och	2MX	Dihydrofolate reductase	1.5.1.3	0.476
1dhj	MTX	Dihydrofolate reductase	1.5.1.3	0.475
1ra3	NAP	Dihydrofolate reductase	1.5.1.3	0.475
2drc	MTX	Dihydrofolate reductase	1.5.1.3	0.475
1dra	MTX	Dihydrofolate reductase	1.5.1.3	0.471
4dfr	MTX	Dihydrofolate reductase	1.5.1.3	0.471
1ra3	MTX	Dihydrofolate reductase	1.5.1.3	0.470
4cd2	FOL	Dihydrofolate reductase	1.5.1.3	0.470
1dis	BDM	Dihydrofolate reductase	1.5.1.3	0.466
1dyi	FOL	Dihydrofolate reductase	1.5.1.3	0.465
1ao8	MTX	Dihydrofolate reductase	1.5.1.3	0.461
3drc	MTX	Dihydrofolate reductase	1.5.1.3	0.460
3s7a	684	Dihydrofolate reductase	1.5.1.3	0.459
1dyj	DDF	Dihydrofolate reductase	1.5.1.3	0.458
1dyh	DZF	Dihydrofolate reductase	1.5.1.3	0.457
1rx7	FOL	Dihydrofolate reductase	1.5.1.3	0.457
4q71	FAD	Bifunctional protein PutA	/	0.453
3tjz	GNP	ADP-ribosylation factor 1	/	0.452
4nbt	NAD	3-oxoacyl-[acyl-carrier-protein] reductase	/	0.450
1jol	FFO	Dihydrofolate reductase	1.5.1.3	0.448
4gl4	NAI	Alcohol dehydrogenase class-3	/	0.448
5hi6	MTX	Dihydrofolate reductase	/	0.448
1iol	EST	Estradiol 17-beta-dehydrogenase 1	1.1.1.62	0.447
2cf6	NAP	Cinnamyl alcohol dehydrogenase 5	1.1.1.195	0.447
2gjl	FMN	Nitronate monooxygenase	1.13.12.16	0.447
1lf3	EH5	Plasmepsin-2	3.4.23.39	0.446
4bfx	ZVX	Pantothenate kinase	2.7.1.33	0.445
4zju	NAD	Enoyl-[acyl-carrier-protein] reductase [NADH]	/	0.445
2fzw	NAD	Alcohol dehydrogenase class-3	1.1.1.1	0.444
3b6z	CO7	Enoyl reductase LovC	1	0.444
4rlh	0WE	Enoyl-[acyl-carrier-protein] reductase [NADH]	/	0.442
1dhi	MTX	Dihydrofolate reductase	1.5.1.3	0.441
1ma0	NAD	Alcohol dehydrogenase class-3	1.1.1.1	0.440
1tdr	MTX	Dihydrofolate reductase	1.5.1.3	0.440
2b4q	NAP	Rhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase	1.1.1.100	0.440