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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
1qyw5SDEstradiol 17-beta-dehydrogenase 11.1.1.62

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
1qyw5SDEstradiol 17-beta-dehydrogenase 11.1.1.621.000
1qyxASDEstradiol 17-beta-dehydrogenase 11.1.1.620.670
1jtvTESEstradiol 17-beta-dehydrogenase 11.1.1.620.585
3deyDHTEstradiol 17-beta-dehydrogenase 11.1.1.620.579
3klmDHTEstradiol 17-beta-dehydrogenase 11.1.1.620.579
1fdsESTEstradiol 17-beta-dehydrogenase 11.1.1.620.553
1a27ESTEstradiol 17-beta-dehydrogenase 11.1.1.620.531
1fdwESTEstradiol 17-beta-dehydrogenase 11.1.1.620.521
3dheANDEstradiol 17-beta-dehydrogenase 11.1.1.620.506
1fduESTEstradiol 17-beta-dehydrogenase 11.1.1.620.500
4ewn0VRImidazole glycerol phosphate synthase subunit HisF4.1.30.492
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.490
1cbqRE9Cellular retinoic acid-binding protein 2/0.489
1hdcCBO3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase1.1.1.530.487
1zdwFLVPrenyltransferase/0.485
4gdy0X1Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.483
3zoiM2WIsopenicillin N synthase1.21.3.10.479
3p62FMNPentaerythritol tetranitrate reductase/0.478
4eplJAIJasmonic acid-amido synthetase JAR16.3.20.477
4a81DXCMajor pollen allergen Bet v 1-A/0.475
4jicFMNGTN Reductase/0.475
4rrrA3TThreonine--tRNA ligase6.1.1.30.475
2rh9IGPTryptophan synthase alpha chain/0.474
1equEQIEstradiol 17-beta-dehydrogenase 11.1.1.620.473
2o1sTDP1-deoxy-D-xylulose-5-phosphate synthase2.2.1.70.472
3lqfNADGalactitol dehydrogenase/0.472
1xddAAYIntegrin alpha-L/0.471
3b895GP16S rRNA methylase/0.471
3tjzGNPADP-ribosylation factor 1/0.471
1h50FMNPentaerythritol tetranitrate reductase/0.470
2dfvNADL-threonine 3-dehydrogenase/0.470
4a87NARMajor pollen allergen Bet v 1-A/0.470
3ibqATPPyridoxal kinase/0.468
3dgaNDPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.467
4m9aFDAAcyl-CoA dehydrogenase/0.467
1m13HYFNuclear receptor subfamily 1 group I member 2/0.466
2fr0NDP6-deoxyerythronolide-B synthase EryA1, modules 1 and 2/0.466
3zeiAWHO-acetylserine sulfhydrylase/0.466
4a83DXCMajor pollen allergen Bet v 1-A/0.466
1beuIPLTryptophan synthase alpha chain/0.465
1cqp803Integrin alpha-L/0.465
1n83CLRNuclear receptor ROR-alpha/0.465
1ra8FOLDihydrofolate reductase1.5.1.30.465
3bgsDIHPurine nucleoside phosphorylase2.4.2.10.465
3gfbNADL-threonine 3-dehydrogenase/0.465
1txtCAAHMG-CoA synthase/0.464
1xe65FPPlasmepsin-23.4.23.390.464
2oc4IMHPurine nucleoside phosphorylase2.4.2.10.464
1ia3TQ5Dihydrofolate reductase1.5.1.30.463
1rt9IMHPurine nucleoside phosphorylase2.4.2.10.463
1w6hTITPlasmepsin-23.4.23.390.463
2a1hGBNBranched-chain-amino-acid aminotransferase, mitochondrial2.6.1.420.463
2ohvNHLGlutamate racemase/0.463
3iqiASN_GLU_ASN_ILECysteine synthase2.5.1.470.463
2e9dB76Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)2.5.1.310.462
3h3t16HCollagen type IV alpha-3-binding protein/0.462
3ixp834Ecdysone receptor/0.462
4rrgA3TThreonine--tRNA ligase6.1.1.30.462
1cg6MTAS-methyl-5'-thioadenosine phosphorylase/0.461
1h51FMNPentaerythritol tetranitrate reductase/0.461
2zbaZBATrichothecene 3-O-acetyltransferase/0.461
3jusBCDLanosterol 14-alpha demethylase1.14.13.700.461
3mpiFADGlutaryl-CoA dehydrogenase1.3.99.320.461
4a862ANMajor pollen allergen Bet v 1-A/0.461
4la7A1OAbscisic acid receptor PYL2/0.461
4u0sADPAdenosine monophosphate-protein transferase FICD2.7.7.n10.461
1gg5FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.460
1kbqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.460
2ejvNADL-threonine 3-dehydrogenase/0.460
3fhxPLPPyridoxal kinase2.7.1.350.460
4gv4MEJPoly [ADP-ribose] polymerase 32.4.2.300.460
4zlaBESCytosol aminopeptidase3.4.11.10.460
5a9sNAPPutative dehydrogenase/0.460
3atzFMNProstaglandin F2a synthase/0.459
3gqvNAPEnoyl reductase LovC10.459
3h3r14HCollagen type IV alpha-3-binding protein/0.459
4a86H35Major pollen allergen Bet v 1-A/0.459
4tmcFMNOld yellow enzyme/0.459
1o6qR17Squalene--hopene cyclase4.2.1.1290.458
1xl8152Peroxisomal carnitine O-octanoyltransferase2.3.1.1370.458
3l0lHC3Nuclear receptor ROR-gamma/0.458
3qt62P0Mevalonate diphosphate decarboxylase/0.458
3v2uATPProtein GAL3/0.458
3wv9FEGHmd co-occurring protein HcgE/0.458
4e2bFMNDehydrogenase/0.458
4q72FADBifunctional protein PutA/0.458
4xsvC5PEthanolamine-phosphate cytidylyltransferase2.7.7.140.458
1dyjDDFDihydrofolate reductase1.5.1.30.457
1jolFFODihydrofolate reductase1.5.1.30.457
1ld8U49Protein farnesyltransferase subunit beta2.5.1.580.457
3nxxNDPDihydrofolate reductase1.5.1.30.457
4q71FADBifunctional protein PutA/0.457
1bvrNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.456
1n3rGTPGTP cyclohydrolase 13.5.4.160.456
1rszDIHPurine nucleoside phosphorylase2.4.2.10.456
1yvfPH7Polyprotein/0.456
3aivHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic3.2.1.1820.456
3lm9ADPPutative fructokinase2.7.1.40.456
4a802ANMajor pollen allergen Bet v 1-A/0.456
4g67SAHUncharacterized ACR, COG1565 superfamily/0.456
1b87ACOAac(6')-Ii protein/0.455
2oc9IMHPurine nucleoside phosphorylase2.4.2.10.455
3junAKDPhenazine biosynthesis protein A/B/0.455
3kjsNAPBifunctional dihydrofolate reductase-thymidylate synthase/0.455
3p74FMNPentaerythritol tetranitrate reductase/0.455
4cdmFO1Deoxyribodipyrimidine photolyase/0.455
4dfrMTXDihydrofolate reductase1.5.1.30.455
1lwiNAP3-alpha-hydroxysteroid dehydrogenase1.1.1.500.454
2wnsOMPUridine 5'-monophosphate synthase2.4.2.100.454
3nmpPYVAbscisic acid receptor PYL2/0.454
4g95OAGDihydrofolate reductase1.5.1.30.454
1mvsDTMDihydrofolate reductase1.5.1.30.453
3atyFMNProstaglandin F2a synthase/0.453
3lfm3DTAlpha-ketoglutarate-dependent dioxygenase FTO/0.453
3toxNAPPutative oxidoreductase/0.453
4a84DXCMajor pollen allergen Bet v 1-A/0.453
4a8v2ANMajor pollen allergen Bet v 1-J/0.453
4k6fNAPPutative Acetoacetyl-CoA reductase/0.453
4nbwNADShort-chain dehydrogenase/reductase SDR/0.453
2dhfDZFDihydrofolate reductase1.5.1.30.452
2g78REACellular retinoic acid-binding protein 2/0.452
2on6IMHPurine nucleoside phosphorylase2.4.2.10.452
2q1sNAIPutative nucleotide sugar epimerase/ dehydratase/0.452
3a783EVVitamin D3 receptor/0.452
3s1dZIRCytokinin dehydrogenase 11.5.99.120.452
4dbzNDPPutative ketoacyl reductase1.3.10.452
1bwsNDPGDP-L-fucose synthase/0.451
1drhNAPDihydrofolate reductase1.5.1.30.451
1fm4DXCMajor pollen allergen Bet v 1-L/0.451
1fmjRTLRetinol dehydratase/0.451
1rfuADPPyridoxal kinase2.7.1.350.451
1s0zEB1Vitamin D3 receptor/0.451
2abbFMNPentaerythritol tetranitrate reductase/0.451
2dvlFADAcyl-CoA dehydrogenase/0.451
2dxdANPNucleoside diphosphate kinase2.7.4.60.451
3bk2U5PRibonuclease J/0.451
5a4kFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.451
1dr3TAPDihydrofolate reductase1.5.1.30.450
1v2hGUNPurine nucleoside phosphorylase2.4.2.10.450
2aq8NAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.450
2vbdV10Isopenicillin N synthase1.21.3.10.450
3gbuATPUncharacterized sugar kinase PH14592.7.10.450
3tnlNADShikimate dehydrogenase (NADP(+))/0.450
1dyiFOLDihydrofolate reductase1.5.1.30.449
1f17NAIHydroxyacyl-coenzyme A dehydrogenase, mitochondrial1.1.1.350.449
1hb1OCVIsopenicillin N synthase1.21.3.10.449
1ia1NDPDihydrofolate reductase1.5.1.30.449
1q20PLOSulfotransferase family cytosolic 2B member 12.8.2.20.449
1rd4L08Integrin alpha-L/0.449
1rfvADPPyridoxal kinase2.7.1.350.449
1t7o152Carnitine O-acetyltransferase2.3.1.70.449
1tllFMNNitric oxide synthase, brain1.14.13.390.449
2he5NDPAldo-keto reductase family 1 member C211.1.10.449
2ituITQEpidermal growth factor receptor2.7.10.10.449
2nmtNHMGlycylpeptide N-tetradecanoyltransferase2.3.1.970.449
2vbpVB1Isopenicillin N synthase1.21.3.10.449
3p67FMNPentaerythritol tetranitrate reductase/0.449
4a99FADTetX family tetracycline inactivation enzyme/0.449
4f7iNAD3-isopropylmalate dehydrogenase1.1.1.850.449
1dyhDZFDihydrofolate reductase1.5.1.30.448
1h66FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.448
1nzdUPGDNA beta-glucosyltransferase/0.448
1xe55FEPlasmepsin-23.4.23.390.448
2uagUMAUDP-N-acetylmuramoylalanine--D-glutamate ligase6.3.2.90.448
3flkNAITartrate dehydrogenase/decarboxylase1.1.1.930.448
3hbbNAPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.448
3qi4IBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.448
4nd4NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase/0.448
1aiqCB3Thymidylate synthase/0.447
1dxqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.447
1kc1NDPdTDP-4-dehydrorhamnose reductase1.1.1.1330.447
1o9bNAIQuinate/shikimate dehydrogenase/0.447
1y9dTPPPyruvate oxidase1.2.3.30.447
2cy0NAPShikimate dehydrogenase (NADP(+))/0.447
2g1n1IGRenin3.4.23.150.447
2g8yNADHydroxycarboxylate dehydrogenase B/0.447
3dysIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.447
3hdhNADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial1.1.1.350.447
3k3hBYEHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.447
4b4w9L9Bifunctional protein FolD/0.447
4k28NADShikimate dehydrogenase family protein/0.447
4l1xNAPAldo-keto reductase family 1 member C2/0.447
1ddrMTXDihydrofolate reductase1.5.1.30.446
1ddsMTXDihydrofolate reductase1.5.1.30.446
1ezvUQ6Cytochrome b/0.446
1h69FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.446
1j49NADD-lactate dehydrogenase1.1.1.280.446
1p0hACOMycothiol acetyltransferase2.3.1.1890.446
1x1aSAMC-20 methyltransferase/0.446
2d29FADAcyl-CoA dehydrogenase/0.446
2drcMTXDihydrofolate reductase1.5.1.30.446
2fw3BUICarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.446
2hcdBIVVitamin D3 receptor A/0.446
3btsNADGalactose/lactose metabolism regulatory protein GAL80/0.446
3f03FMNPentaerythritol tetranitrate reductase/0.446
4e2dFMNDehydrogenase/0.446
4hbm0Y7E3 ubiquitin-protein ligase Mdm26.3.20.446
4jtqNAPAldo-keto reductase family 1 member C2/0.446
4pnmNU1Tankyrase-22.4.2.300.446
5dw60T1Succinyl-CoA:acetate CoA-transferase/0.446
5k2cZMAAdenosine receptor A2a/0.446
1aoeGW3Dihydrofolate reductase1.5.1.30.445
1guyNADMalate dehydrogenase/0.445
1h35R01Squalene--hopene cyclase4.2.1.1290.445
1kr2TADNicotinamide/nicotinic acid mononucleotide adenylyltransferase 12.7.7.10.445
1ni12C5Protein farnesyltransferase subunit beta2.5.1.580.445
1ni4TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.445
1ni4TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.445
2fy4COACholine O-acetyltransferase2.3.1.60.445
2y8lADP5'-AMP-activated protein kinase subunit gamma-1/0.445
3dyqPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.445
3oafOAGDihydrofolate reductase1.5.1.30.445
3oqfS51Renin3.4.23.150.445
4c3f7KWTyrosine-protein kinase Lck2.7.10.20.445
4hfr14MCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.445
5cpbNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.445
1dmyAZMCarbonic anhydrase 5A, mitochondrial4.2.1.10.444
1h63FMNPentaerythritol tetranitrate reductase/0.444
1h73ANPHomoserine kinase2.7.1.390.444
1kkq471Peroxisome proliferator-activated receptor alpha/0.444
1psa0ZLPepsin A3.4.23.10.444
2fj1CTCTetracycline repressor protein class D/0.444
2j9fTHV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial1.2.4.40.444
2j9fTHV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial1.2.4.40.444
2yoj8Y6Genome polyprotein2.7.7.480.444
3eigMTXDihydrofolate reductase1.5.1.30.444
3eu5GBOProtein farnesyltransferase subunit beta2.5.1.580.444
3kytHC2Nuclear receptor ROR-gamma/0.444
3own3OWRenin3.4.23.150.444
3wv7ADPHmd co-occurring protein HcgE/0.444
4a30QMIGlycylpeptide N-tetradecanoyltransferase/0.444
4bgePYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.444
4dtiNAIEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.444
1icqFMN12-oxophytodienoate reductase 11.3.1.420.443
1qbgFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.443
1rx8FOLDihydrofolate reductase1.5.1.30.443
1tysTMPThymidylate synthase/0.443
2fvlNAPAldo-keto reductase family 1 member C41.1.1.2250.443
2nrySTUInterleukin-1 receptor-associated kinase 42.7.11.10.443
2o4rVD5Vitamin D3 receptor/0.443
2rhgIGPTryptophan synthase alpha chain/0.443
3dynPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.443
3fnlSHALactoperoxidase/0.443
3g70A5TRenin3.4.23.150.443
3gwfNAPCyclohexanone monooxygenase/0.443
3vt45YIVitamin D3 receptor/0.443
4b4vL34Bifunctional protein FolD/0.443
4iae1DXAlr2278 protein/0.443
4ie6UN9Alpha-ketoglutarate-dependent dioxygenase FTO/0.443
4lcg1WMUDP-3-O-acyl-N-acetylglucosamine deacetylase/0.443
4mv8ACPBiotin carboxylase6.3.4.140.443
1ia4TQ6Dihydrofolate reductase1.5.1.30.442
1k8y13PTryptophan synthase alpha chain/0.442
1nvtNAPShikimate dehydrogenase (NADP(+))/0.442
1x1cSAHC-20 methyltransferase/0.442
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
2o4jVD4Vitamin D3 receptor/0.442
2po7CHDFerrochelatase, mitochondrial4.99.1.10.442
2x7hPFNProstaglandin reductase 310.442
2xckMH43-phosphoinositide-dependent protein kinase 12.7.11.10.442
3b70NAPEnoyl reductase LovC10.442
3c0i3AMPeripheral plasma membrane protein CASK2.7.11.10.442
3eksCY9Actin-5C/0.442
3g5qFADMethylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO/0.442
3iqhTYR_ASP_ILECysteine synthase2.5.1.470.442
3n3zIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.442
3pftFMNFlavin reductase/0.442
3u9eCOALmo1369 protein/0.442
4ia7BIVVitamin D3 receptor A/0.442
4nbtNAD3-oxoacyl-[acyl-carrier-protein] reductase/0.442
1b8vNADMalate dehydrogenase/0.441
1fdtESTEstradiol 17-beta-dehydrogenase 11.1.1.620.441
1rb3MTXDihydrofolate reductase1.5.1.30.441
1wxjIPLTryptophan synthase alpha chain/0.441
2ddoATPPyridoxine/pyridoxal/pyridoxamine kinase/0.441
2gv8NDPThiol-specific monooxygenase1.14.130.441
2xviFADPutative flavin-containing monooxygenase/0.441
2y60M8FIsopenicillin N synthase1.21.3.10.441
3copADPGlycogen synthase2.4.1.210.441
3em0CHDFatty acid-binding protein 6, ileal (gastrotropin)/0.441
3h3sH15Collagen type IV alpha-3-binding protein/0.441
3qlsNDPDihydrofolate reductase1.5.1.30.441
3w5hFADNADH-cytochrome b5 reductase 31.6.2.20.441
4iarERM5-hydroxytryptamine receptor 1B/0.441
4o7uTHFThymidylate synthase/0.441
4qemHC4Phospholipase A2 VRV-PL-VIIIa/0.441
1d4aFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.440
1dhiMTXDihydrofolate reductase1.5.1.30.440
1h36R88Squalene--hopene cyclase4.2.1.1290.440
1osvCHCBile acid receptor/0.440
1rj6AZMCarbonic anhydrase 144.2.1.10.440
1sd2MTHS-methyl-5'-thioadenosine phosphorylase/0.440
1vi2NADQuinate/shikimate dehydrogenase/0.440
2az3CDPNucleoside diphosphate kinase/0.440
2bi4NADLactaldehyde reductase1.1.1.770.440
2fzmFADBifunctional protein PutA1.5.5.20.440
2gjlFMNNitronate monooxygenase1.13.12.160.440
2q9fC3SCholesterol 24-hydroxylase/0.440
2y6fM9FIsopenicillin N synthase1.21.3.10.440
3bc3OPTCathepsin L13.4.22.150.440
3e30ED4Protein farnesyltransferase subunit beta2.5.1.580.440
3ha7B32Hydroxymycolate synthase MmaA42.1.10.440
3jypNADQuinate/shikimate dehydrogenase (NAD(+))/0.440
3och2MXDihydrofolate reductase1.5.1.30.440
3of2NADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.440
3vt5YI2Vitamin D3 receptor/0.440
4e907RGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.440
4gkvNADAlcohol dehydrogenase, propanol-preferring1.1.1.10.440
4m4922YL-lactate dehydrogenase A chain1.1.1.270.440
4n9qFMNFMN-dependent NADH-azoreductase 1/0.440
4q73FADBifunctional protein PutA/0.440
4ruoBIVVitamin D3 receptor A/0.440
5itzLOCTubulin beta-2B chain/0.440