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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
3vjlW94Dipeptidyl peptidase 4

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
3vjlW94Dipeptidyl peptidase 4/1.000
3vjkM51Dipeptidyl peptidase 4/0.767
3ccbB2YDipeptidyl peptidase 4/0.653
3qbjNXZDipeptidyl peptidase 4/0.636
3f8sPF2Dipeptidyl peptidase 4/0.620
2aj8SC3Dipeptidyl peptidase 4/0.548
3opmLUIDipeptidyl peptidase 4/0.545
3ccc7ACDipeptidyl peptidase 4/0.526
4ffw715Dipeptidyl peptidase 4/0.525
4a5sN7FDipeptidyl peptidase 4/0.522
2xjeU5PCytosolic purine 5'-nucleotidase3.1.3.50.512
2g25TDKPyruvate dehydrogenase E1 component1.2.4.10.503
2rgu356Dipeptidyl peptidase 4/0.502
1npdNADQuinate/shikimate dehydrogenase/0.500
3wqmB29Diterpene synthase3.1.7.80.496
3g0bT22Dipeptidyl peptidase 4/0.491
4eb5PLPCysteine desulfurase IscS 2/0.490
3g0gRUMDipeptidyl peptidase 4/0.489
2cv2GSUGlutamate--tRNA ligase6.1.1.170.487
2iibC5PAlpha-2,3/2,6-sialyltransferase/sialidase/0.487
3t0iSAHPutative methyltransferase/0.485
2oaeAILDipeptidyl peptidase 4/0.484
2xukTZ5Acetylcholinesterase3.1.1.70.483
2xuoTZ4Acetylcholinesterase3.1.1.70.481
1tcoFK5Peptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.480
1tcoFK5Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform3.1.3.160.480
4eagATP5'-AMP-activated protein kinase subunit gamma-1/0.480
3dziRGTADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 13.2.2.60.479
2vatCOAAcetyl-CoA--deacetylcephalosporin C acetyltransferase2.3.1.1750.478
1x1bSAHC-20 methyltransferase/0.476
3g0dXIHDipeptidyl peptidase 4/0.476
3gfbNADL-threonine 3-dehydrogenase/0.476
2ilvC5PAlpha-2,3/2,6-sialyltransferase/sialidase/0.475
2cekN8TAcetylcholinesterase3.1.1.70.474
3gxfIFMGlucosylceramidase3.2.1.450.473
3mauPLRPutative sphingosine-1-phosphate lyase/0.473
3o5rFK5Peptidyl-prolyl cis-trans isomerase FKBP55.2.1.80.473
2gs9SAHUncharacterized protein/0.472
2xugTZ4Acetylcholinesterase3.1.1.70.472
3b1dPLSBetaC-S lyase/0.472
1h50FMNPentaerythritol tetranitrate reductase/0.471
2a58RBF6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.471
1ni12C5Protein farnesyltransferase subunit beta2.5.1.580.470
3dyqPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.470
1o9bNAIQuinate/shikimate dehydrogenase/0.469
1vhzAPRADP compounds hydrolase NudE3.6.10.469
1vyrFMNPentaerythritol tetranitrate reductase/0.469
3pkeY10Methionine aminopeptidase 2/0.469
5ah5LSSLeucine--tRNA ligase/0.469
3sxjSAMPutative methyltransferase/0.468
4rvdSAMD-mycarose 3-C-methyltransferase/0.468
1odcA8BAcetylcholinesterase3.1.1.70.467
1w34FADFerredoxin--NADP reductase1.18.1.20.467
2hs6FMN12-oxophytodienoate reductase 31.3.1.420.467
2vyqFADFerredoxin--NADP reductase1.18.1.20.467
3g1rFIT3-oxo-5-beta-steroid 4-dehydrogenase/0.467
2gv8NDPThiol-specific monooxygenase1.14.130.466
2jgbMGTEukaryotic translation initiation factor 4E type 2/0.466
3d3xARG_ILE_MET_GLU_NH2Type E botulinum toxin/0.466
5c1d12VUDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit/0.466
2g1y5IGRenin3.4.23.150.465
4gddNAIUDP-galactopyranose mutase/0.465
2g247IGRenin3.4.23.150.464
3dy85GPHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.464
4eb7PLPCysteine desulfurase IscS 2/0.464
4gv08MEPoly [ADP-ribose] polymerase 32.4.2.300.464
4i101BSBeta-secretase 13.4.23.460.464
2ffqGSPRas-related protein Rab-6B/0.463
2xuiTZ5Acetylcholinesterase3.1.1.70.463
2xuqTZ4Acetylcholinesterase3.1.1.70.463
2zsaADPPantothenate kinase2.7.1.330.463
3elbC5PEthanolamine-phosphate cytidylyltransferase2.7.7.140.463
3zv7NHGAcetylcholinesterase3.1.1.70.463
1kyvRBF6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.462
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.462
2q7oIMHPurine nucleoside phosphorylase2.4.2.10.462
3e34ED1Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha/0.462
3e34ED1Protein farnesyltransferase subunit beta2.5.1.580.462
3v0o4GWHisto-blood group ABO system transferase/0.462
1icpFMN12-oxophytodienoate reductase 11.3.1.420.461
1w6rGNTAcetylcholinesterase3.1.1.70.461
4j4nD44Peptidylprolyl isomerase/0.461
1mmkH4BPhenylalanine-4-hydroxylase1.14.16.10.460
1qpl587Peptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.460
1x1aSAMC-20 methyltransferase/0.460
2ea4F79Methionine aminopeptidase 2/0.460
3c8bARG_ARG_GLY_ILE_NH2Botulinum neurotoxin type A3.4.24.690.460
3iqhTYR_ASP_ILECysteine synthase2.5.1.470.460
3jypNADQuinate/shikimate dehydrogenase (NAD(+))/0.460
3v0p4GWHisto-blood group ABO system transferase/0.460
5ao1DG3Deoxynucleoside triphosphate triphosphohydrolase SAMHD13.1.50.460
5bqfNAPProbable hydroxyacid dehydrogenase protein/0.460
4j75TYMTryptophan--tRNA ligase/0.459
4m0f1YKAcetylcholinesterase3.1.1.70.459
1h51FMNPentaerythritol tetranitrate reductase/0.458
1x1cSAHC-20 methyltransferase/0.458
3bk2U5PRibonuclease J/0.458
3c1kT15Prothrombin3.4.21.50.458
3kigDA4Carbonic anhydrase 24.2.1.10.458
4briUNPEctonucleoside triphosphate diphosphohydrolase I/0.458
4ge90L0Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.458
4gm4TZDBenzoylformate decarboxylase4.1.1.70.458
1bwlFMNNADPH dehydrogenase 11.6.99.10.457
2g1n1IGRenin3.4.23.150.457
2i65NADADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 13.2.2.60.457
3c8aARG_ARG_GLY_LEU_NH2Botulinum neurotoxin type A3.4.24.690.457
4g1f0WGDipeptidyl peptidase 4/0.457
5dldUD1UDP-N-Acetylglucosamine 2-epimerase/0.457
1q84TZ4Acetylcholinesterase3.1.1.70.456
2iko7IGRenin3.4.23.150.456
2yd0BESEndoplasmic reticulum aminopeptidase 13.4.110.456
3hl0NADMaleylacetate reductase/0.456
3lqsPSZD-alanine aminotransferase2.6.1.210.456
1zgbA1EAcetylcholinesterase3.1.1.70.455
2pbwDOQGlutamate receptor ionotropic, kainate 1/0.455
3wwmADP[LysW]-aminoadipate kinase/0.455
4drm0MCPeptidyl-prolyl cis-trans isomerase FKBP55.2.1.80.455
4m0cFMNFMN-dependent NADH-azoreductase 1/0.455
1e66HUXAcetylcholinesterase3.1.1.70.454
1ex75GPGuanylate kinase2.7.4.80.454
1r5gAO1Methionine aminopeptidase 2/0.454
2b3dFADModulator of drug activity B/0.454
3nubUD0UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase2.6.1.980.454
3p80P80Pentaerythritol tetranitrate reductase/0.454
3rsv3RSBeta-secretase 13.4.23.460.454
4lnbED5CaaX farnesyltransferase beta subunit Ram1/0.454
1mu6CDAProthrombin3.4.21.50.453
1n95HFPProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha/0.453
1n95HFPProtein farnesyltransferase subunit beta2.5.1.580.453
1toiHCIAspartate aminotransferase2.6.1.10.453
2ex1C5PAlpha-2,3/2,6-sialyltransferase/sialidase/0.453
2xupTZ5Acetylcholinesterase3.1.1.70.453
4eplJAIJasmonic acid-amido synthetase JAR16.3.20.453
3irhDTPHD domain protein/0.452
3jswJARHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.452
3tqxPLP2-amino-3-ketobutyrate coenzyme A ligase/0.452
3ziuLSSLeucyl-tRNA synthetase/0.452
4hmz18TdTDP-4-dehydro-6-deoxyglucose 3-epimerase5.1.3.270.452
4q0kGA3Phytohormone-binding protein/0.452
1kw8BPYBiphenyl-2,3-diol 1,2-dioxygenase1.13.11.390.451
2a57CRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.451
3bxoUPPdTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose/0.451
3iu8T03Methionine aminopeptidase 2/0.451
3p67FMNPentaerythritol tetranitrate reductase/0.451
3tr05GPGuanylate kinase/0.451
4e2dFMNDehydrogenase/0.451
4ey7E20Acetylcholinesterase3.1.1.70.451
4x7vMIVMycinamicin III 3''-O-methyltransferase2.1.1.2370.451
1gg5FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.450
1mbbEEBUDP-N-acetylenolpyruvoylglucosamine reductase1.3.1.980.450
1rfgGMPPurine nucleoside phosphorylase2.4.2.10.450
1sb1165Prothrombin3.4.21.50.450
1tiqCOASpermidine/spermine N(1)-acetyltransferase/0.450
2a59LMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.450
2xnvVU3Soluble acetylcholine receptor/0.450
3egkM18Prothrombin3.4.21.50.450
3u5ySCGRaucaffricine-O-beta-D-glucosidase3.2.1.1250.450
4b66NAPL-ornithine N(5)-monooxygenase/0.450
4jb1NAPUDP-N-acetylenolpyruvoylglucosamine reductase/0.450
1fkbRAPPeptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.449
1icqFMN12-oxophytodienoate reductase 11.3.1.420.449
1ikiREYD-alanyl-D-alanine carboxypeptidase3.4.16.40.449
2v7qATPATP synthase subunit alpha, mitochondrial/0.449
2v7qATPATP synthase subunit beta, mitochondrial3.6.3.140.449
4bekXK0Beta-secretase 13.4.23.460.449
4de10J6Beta-lactamase/0.449
4mo2FADUDP-galactopyranose mutase/0.449
4rvfTYDD-mycarose 3-C-methyltransferase/0.449
1rr6IMHPurine nucleoside phosphorylase2.4.2.10.448
2j3qTFLAcetylcholinesterase3.1.1.70.448
2zcvNDPQuinone oxidoreductase 21.6.5.20.448
3dzkNMNADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 13.2.2.60.448
3fr5I4AFatty acid-binding protein, adipocyte/0.448
4b68NAPL-ornithine N(5)-monooxygenase/0.448
1by5GLY_GLY_GLY_AHO_AHO_AHO_FEFerrichrome-iron receptor/0.447
1ja1FMNNADPH--cytochrome P450 reductase/0.447
1jil485Tyrosine--tRNA ligase/0.447
1zp4FAD5,10-methylenetetrahydrofolate reductase1.5.1.200.447
2b58COADiamine acetyltransferase 1/0.447
2il2LIXRenin3.4.23.150.447
2vkeTACTetracycline repressor protein class D/0.447
2xq0BESLeukotriene A-4 hydrolase homolog3.3.2.60.447
2xujTZ5Acetylcholinesterase3.1.1.70.447
3qgi33FGenome polyprotein2.7.7.480.447
3wycNAPMeso-diaminopimelate D-dehydrogenase1.4.1.160.447
4gdcNDPUDP-galactopyranose mutase/0.447
4ywjNAD4-hydroxy-tetrahydrodipicolinate reductase/0.447
4zlaBESCytosol aminopeptidase3.4.11.10.447
1j37X8ZAngiotensin-converting enzyme3.4.15.10.446
1tllFMNNitric oxide synthase, brain1.14.13.390.446
1yw8A75Methionine aminopeptidase 2/0.446
2b4tAESGlyceraldehyde-3-phosphate dehydrogenase/0.446
2hfuMEVMevalonate kinase/0.446
2q96A18Methionine aminopeptidase/0.446
2watCOAFatty acid synthase subunit alpha2.3.1.860.446
2xlpFADPutative flavin-containing monooxygenase/0.446
3mj4URMUDP-galactopyranose mutase/0.446
3ojxFMNNADPH--cytochrome P450 reductase/0.446
3p8iFMNPentaerythritol tetranitrate reductase/0.446
3pkbY16Methionine aminopeptidase 2/0.446
3q9bB3NAcetylpolyamine amidohydrolase/0.446
3tjlFMNNADPH dehydrogenase/0.446
4araC56Acetylcholinesterase3.1.1.70.446
4awsFMNNADH:flavin oxidoreductase Sye1/0.446
4qfzTTPDeoxynucleoside triphosphate triphosphohydrolase SAMHD13.1.50.446
4w5kPLPAspartate aminotransferase, mitochondrial/0.446
1cnfFADNitrate reductase [NADH]1.7.1.10.445
1icsFMN12-oxophytodienoate reductase 11.3.1.420.445
2e0nSAHPrecorrin-2 C20-methyltransferase/0.445
2v2zCDM4-diphosphocytidyl-2-C-methyl-D-erythritol kinase/0.445
3aezGDPPantothenate kinase2.7.1.330.445
3d91REMRenin3.4.23.150.445
3n19FNRXenobiotic reductase/0.445
3pkaY02Methionine aminopeptidase 2/0.445
4jtqNAPAldo-keto reductase family 1 member C2/0.445
1k4mNADNicotinate-nucleotide adenylyltransferase2.7.7.180.444
1kw0H4BPhenylalanine-4-hydroxylase1.14.16.10.444
1kw6BPYBiphenyl-2,3-diol 1,2-dioxygenase1.13.11.390.444
1kw9BPYBiphenyl-2,3-diol 1,2-dioxygenase1.13.11.390.444
1nm6L86Prothrombin3.4.21.50.444
1po7TZDBenzoylformate decarboxylase4.1.1.70.444
1qbqHFPProtein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha/0.444
1qbqHFPProtein farnesyltransferase subunit beta2.5.1.580.444
1uvsI11Prothrombin3.4.21.50.444
2g5w8PG12-oxophytodienoate reductase 31.3.1.420.444
2qbuSAHPrecorrin-2 methyltransferase/0.444
2whqHI6Acetylcholinesterase3.1.1.70.444
2xi4AFTAcetylcholinesterase3.1.1.70.444
3apwDP0Alpha-1-acid glycoprotein 2/0.444
3kmxG00Beta-secretase 13.4.23.460.444
3mauEXTPutative sphingosine-1-phosphate lyase/0.444
3mdzEZLCarbonic anhydrase 74.2.1.10.444
3oikWZBCarbonic anhydrase 24.2.1.10.444
3pz43PZProtein farnesyltransferase subunit beta2.5.1.580.444
4c49HCYCorticosteroid-binding globulin/0.444
4rnwFMNNADPH dehydrogenase 11.6.99.10.444
1n95FTHProtein farnesyltransferase subunit beta2.5.1.580.443
1u65CP0Acetylcholinesterase3.1.1.70.443
1umkFADNADH-cytochrome b5 reductase 31.6.2.20.443
1xvaSAMGlycine N-methyltransferase2.1.1.200.443
1z44FMNNADPH dehydrogenase/0.443
3ai2NDPNADPH-sorbose reductase/0.443
3cb2GDPTubulin gamma-1 chain/0.443
3gjwGJWPoly [ADP-ribose] polymerase 12.4.2.300.443
3hdyGDUUDP-galactopyranose mutase/0.443
3zeiAWHO-acetylserine sulfhydrylase/0.443
4b63FADL-ornithine N(5)-monooxygenase/0.443
4dan2FAPurine nucleoside phosphorylase DeoD-type2.4.2.10.443
4df2FMNNADPH dehydrogenase/0.443
4f1l0RYPoly [ADP-ribose] polymerase 142.4.2.300.443
4j7hTRHPCZA361.3/0.443
4rnvFMNNADPH dehydrogenase 11.6.99.10.443
4rv9SAHD-mycarose 3-C-methyltransferase/0.443
1fxuGU7Purine nucleoside phosphorylase2.4.2.10.442
1pq944BOxysterols receptor LXR-beta/0.442
2ad5ADPCTP synthase/0.442
3akzGSUGlutamate--tRNA ligase 2/0.442
3hgsFMN12-oxophytodienoate reductase 31.3.1.420.442
3n14FMNXenobiotic reductase/0.442
4bbyFADAlkyldihydroxyacetonephosphate synthase, peroxisomal2.5.1.260.442
4bfzZVZPantothenate kinase2.7.1.330.442
4de3DN8Beta-lactamase/0.442
4layI63Peptidyl-prolyl cis-trans isomerase FKBP45.2.1.80.442
4mprTPPBenzoylformate decarboxylase4.1.1.70.442
4qfyDCPDeoxynucleoside triphosphate triphosphohydrolase SAMHD13.1.50.442
1gky5GPGuanylate kinase2.7.4.80.441
1j0d5PA1-aminocyclopropane-1-carboxylate deaminase3.5.99.70.441
1xe65FPPlasmepsin-23.4.23.390.441
2c6c24IGlutamate carboxypeptidase 23.4.17.210.441
2fxfACODiamine acetyltransferase 1/0.441
2gesCOKPantothenate kinase2.7.1.330.441
3dcsMZMCarbonic anhydrase 24.2.1.10.441
3gkaFMNN-ethylmaleimide reductase/0.441
3hl4CDCCholine-phosphate cytidylyltransferase A/0.441
3intFDAUDP-galactopyranose mutase5.4.99.90.441
3sfh1DIHistone deacetylase 83.5.1.980.441
3t4hMD5Alpha-ketoglutarate-dependent dioxygenase AlkB1.14.11.330.441
4b64NAPL-ornithine N(5)-monooxygenase/0.441
4bfvZVVPantothenate kinase2.7.1.330.441
4de2DN3Beta-lactamase/0.441
4drkI63Peptidyl-prolyl cis-trans isomerase FKBP55.2.1.80.441
3vw7VPXProteinase-activated receptor 1/0.441
1fkhSBXPeptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.440
1fkjFK5Peptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.440
1jwtBLIProthrombin3.4.21.50.440
1r6uTYMTryptophan--tRNA ligase, cytoplasmic6.1.1.20.440
2dg4RAPPeptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.440
2futH1SHeparin and heparin-sulfate lyase/0.440
3e6eDCSAlanine racemase/0.440
3iu7FCDMethionine aminopeptidase 2/0.440
3wquATPCell division protein FtsA/0.440
4b1c1B1Beta-secretase 13.4.23.460.440
4f3xNADPutative aldehyde dehydrogenase/0.440
4jayNAPUDP-N-acetylenolpyruvoylglucosamine reductase/0.440
4l7g1W0Beta-secretase 13.4.23.460.440