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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
4jq1NPSAldo-keto reductase family 1 member C2

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
4jq1NPSAldo-keto reductase family 1 member C2/1.000
4jtqFLPAldo-keto reductase family 1 member C2/0.618
4jtrIBPAldo-keto reductase family 1 member C2/0.609
4jtrIZPAldo-keto reductase family 1 member C2/0.592
1ihiIU5Aldo-keto reductase family 1 member C2/0.589
4xo7ASDAldo-keto reductase family 1 member C2/0.586
4jqaID8Aldo-keto reductase family 1 member C2/0.582
4jq2SUZAldo-keto reductase family 1 member C2/0.578
4jq3ZOMAldo-keto reductase family 1 member C2/0.565
2ipjFFAAldo-keto reductase family 1 member C2/0.553
1mrqSTRAldo-keto reductase family 1 member C1/0.543
4l1xSTRAldo-keto reductase family 1 member C2/0.504
2f3815MAldo-keto reductase family 1 member C3/0.486
1s2cFLFAldo-keto reductase family 1 member C3/0.479
1e2lTMCThymidine kinase/0.475
4l1xNAPAldo-keto reductase family 1 member C2/0.474
3c49KU8Poly [ADP-ribose] polymerase 32.4.2.300.471
4eywL0RCarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.468
4n1gCEIObelin/0.468
2cleF6FTryptophan synthase alpha chain/0.467
3qpoPFRcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.467
4a30QMIGlycylpeptide N-tetradecanoyltransferase/0.467
4pnmNU1Tankyrase-22.4.2.300.467
1qyxASDEstradiol 17-beta-dehydrogenase 11.1.1.620.466
8catNDPCatalase1.11.1.60.466
1pq944BOxysterols receptor LXR-beta/0.464
2ea4F79Methionine aminopeptidase 2/0.464
4ddl0JQcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.464
5d7qAR6NAD-dependent protein deacetylase sirtuin-23.5.10.463
2j9fTHV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial1.2.4.40.462
2j9fTHV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial1.2.4.40.462
1s07PLPAdenosylmethionine-8-amino-7-oxononanoate aminotransferase2.6.1.620.461
4ajm3A6cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.460
3g5sFADMethylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO/0.459
1so2666cGMP-inhibited 3',5'-cyclic phosphodiesterase B3.1.4.170.458
2ourCMPcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.458
1y2c3DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.457
2poqISDTrans-1,2-dihydrobenzene-1,2-diol dehydrogenase1.3.1.200.456
3k3hBYEHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.456
4rtbSAMPutative thiazole biosynthesis protein ThiH/0.456
4dbuBT9Aldo-keto reductase family 1 member C3/0.455
4llkMEWcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.455
1sojIBMcGMP-inhibited 3',5'-cyclic phosphodiesterase B3.1.4.170.454
1x8lOXRRetinol dehydratase/0.454
2a59LMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.454
2xvw9NRSerum albumin/0.454
1zgbA1EAcetylcholinesterase3.1.1.70.452
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.451
1mkdZARcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.450
2fs4PZ1Renin3.4.23.150.450
2ovvPFHcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.450
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.449
3qgf46FGenome polyprotein2.7.7.480.449
4j7gTRHPCZA361.3/0.449
3c4hDRLPoly [ADP-ribose] polymerase 32.4.2.300.448
1zq5E04Aldo-keto reductase family 1 member C3/0.447
3tfjTHGDimethylsulfonioproprionate demethylase DmdA2.1.1.2690.447
1g63FMNEpidermin decarboxylase4.1.10.446
1piwNAPNADP-dependent alcohol dehydrogenase 61.1.1.20.446
2a58RBF6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.446
2r5nTPPTransketolase 1/0.446
1qtiGNTAcetylcholinesterase3.1.1.70.445
1xomCIOcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.445
1y2bDEEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.445
2xlrFADPutative flavin-containing monooxygenase/0.445
4cax646Glycylpeptide N-tetradecanoyltransferase2.3.1.970.445
4fam0SZAldo-keto reductase family 1 member C3/0.445
2o8h227cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.444
3occDIHPurine nucleoside phosphorylase DeoD-type/0.444
3t37FADPyridoxine 4-oxidase/0.444
4a322CDGlycylpeptide N-tetradecanoyltransferase/0.444
2v58LZJBiotin carboxylase6.3.4.140.443
3f3y4OABile salt sulfotransferase2.8.2.140.443
4lm4JPZcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.443
1ej3CZHAequorin-2/0.442
2psjCEIRenilla-luciferin 2-monooxygenase1.13.12.50.442
3k4s0MOcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
4af7FADFerredoxin--NADP reductase, leaf isozyme, chloroplastic1.18.1.20.442
4iae1DXAlr2278 protein/0.442
1ndzFR5Adenosine deaminase3.5.4.40.441
4e907RGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
4u95MIYMultidrug efflux pump subunit AcrB/0.441
4wda2AM2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.441
1zklIBMHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A3.1.4.530.440
3dysIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.440
3geyP34Poly [ADP-ribose] polymerase 152.4.2.300.440
3pm1ETHTH-type transcriptional regulator QacR/0.440
4fcd0T6cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.440
4iarERM5-hydroxytryptamine receptor 1B/0.440
4mrm2BYGamma-aminobutyric acid type B receptor subunit 1/0.440