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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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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
4gabFIDAldo-keto reductase family 1 member B101.1.1

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4gabFIDAldo-keto reductase family 1 member B101.1.11.000
3s3gTLTAldose reductase1.1.1.210.610
2iqdLPAAldose reductase1.1.1.210.601
1pwmFIDAldose reductase1.1.1.210.598
1ef3FIDAldose reductase1.1.1.210.592
3u2cSUZAldose reductase1.1.1.210.587
2inzOHPAldose reductase1.1.1.210.586
2nvcITAAldose reductase1.1.1.210.585
1ah0SBIAldose reductase1.1.1.210.580
1ekoI84Aldose reductase1.1.1.210.577
3p2vDOYAldose reductase1.1.1.210.566
2pd9FIDAldose reductase1.1.1.210.562
2pdkSBIAldose reductase1.1.1.210.560
2pdyFIDAldose reductase1.1.1.210.559
2is72CLAldose reductase1.1.1.210.556
2pdmZSTAldose reductase1.1.1.210.548
2pdwFIDAldose reductase1.1.1.210.547
2f2kTGGAldose reductase1.1.1.210.539
2hvnZSTAldose reductase1.1.1.210.538
2pdiZSTAldose reductase1.1.1.210.526
1zuaTOLAldo-keto reductase family 1 member B101.1.10.520
4wevSUZAldo-keto reductase family 1 member B101.1.10.507
2pdg47DAldose reductase1.1.1.210.492
3v35NTIAldose reductase1.1.1.210.492
2pdj393Aldose reductase1.1.1.210.491
1el3I84Aldose reductase1.1.1.210.481
4gts7TPGeranylgeranyl transferase type-2 subunit beta2.5.1.600.480
2agtFIDAldose reductase1.1.1.210.478
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.478
5liu388Aldo-keto reductase family 1 member B101.1.10.477
1ry0PG2Aldo-keto reductase family 1 member C3/0.475
1ni4TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.472
1ni4TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.472
4u95MIYMultidrug efflux pump subunit AcrB/0.472
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.471
2pdlTOLAldose reductase1.1.1.210.466
4pnmNU1Tankyrase-22.4.2.300.464
4iarERM5-hydroxytryptamine receptor 1B/0.463
4jln18VDeoxycytidine kinase2.7.1.740.463
1hfrMOTDihydrofolate reductase1.5.1.30.462
4tjy3GNTankyrase-22.4.2.300.460
2fb8215Serine/threonine-protein kinase B-raf2.7.11.10.459
4k4eK4ETankyrase-12.4.2.300.459
3o73O73Ribosyldihydronicotinamide dehydrogenase [quinone]/0.458
1uhoVDNcGMP-specific 3',5'-cyclic phosphodiesterase/0.457
3ppkFNISerine/threonine-protein kinase B-raf2.7.11.10.457
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.457
3h4gFIDAlcohol dehydrogenase [NADP(+)]1.1.1.20.456
4dbuBT9Aldo-keto reductase family 1 member C3/0.456
2ycxP32Beta-1 adrenergic receptor/0.456
3geyP34Poly [ADP-ribose] polymerase 152.4.2.300.455
4fam0SZAldo-keto reductase family 1 member C3/0.455
1az1ALRAldose reductase1.1.1.210.454
2vrjNCWBeta-glucosidase A3.2.1.210.453
3mauPLRPutative sphingosine-1-phosphate lyase/0.453
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.452
3zv7NHGAcetylcholinesterase3.1.1.70.451
4hshQEIQueuine tRNA-ribosyltransferase2.4.2.290.450
3pz3PZ3Geranylgeranyl transferase type-2 subunit beta2.5.1.600.449
1uhhCZPAequorin-2/0.448
2c9zQUEAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.448
2vi5Y196,7-dimethyl-8-ribityllumazine synthase2.5.1.780.448
2fzbTOLAldose reductase1.1.1.210.447
2nvdITBAldose reductase1.1.1.210.447
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.447
4ga8SBIAldo-keto reductase family 1 member B101.1.10.447
1zgbA1EAcetylcholinesterase3.1.1.70.446
3hl0NADMaleylacetate reductase/0.446
4fk3325Serine/threonine-protein kinase B-raf2.7.11.10.446
5dsyUHBPoly [ADP-ribose] polymerase 22.4.2.300.446
1xf0ASDAldo-keto reductase family 1 member C3/0.445
2hzqSTRApolipoprotein D/0.445
3e4vFMNUncharacterized protein/0.445
3v94WYQPhosphodiesterase/0.445
4gtv7TRGeranylgeranyl transferase type-2 subunit beta2.5.1.600.445
2yczI32Beta-1 adrenergic receptor/0.445
1nm6L86Prothrombin3.4.21.50.444
2qjpANJCytochrome b/0.444
3f3y4OABile salt sulfotransferase2.8.2.140.444
5kf2ACOPredicted acetyltransferase/0.444
1votHUPAcetylcholinesterase3.1.1.70.443
2zi53L1Deoxycytidine kinase2.7.1.740.443
3owxXRARibosyldihydronicotinamide dehydrogenase [quinone]/0.443
4l5b1UXDeoxycytidine kinase2.7.1.740.443
5stdUNNScytalone dehydratase4.2.1.940.443
2ycyP32Beta-1 adrenergic receptor/0.443
1gt5BZQOdorant-binding protein/0.442
1y2c3DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
3arpDEQChitinase A/0.442
4m6kFOLDihydrofolate reductase1.5.1.30.442
2zu9GDPMannosyl-3-phosphoglycerate synthase2.4.1.2170.441
1s1rNAPAldo-keto reductase family 1 member C3/0.440
3bxoUPPdTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose/0.440