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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
2wyaHMGHydroxymethylglutaryl-CoA synthase, mitochondrial2.3.3.10

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
2wyaHMGHydroxymethylglutaryl-CoA synthase, mitochondrial2.3.3.101.000
2p8uCOAHydroxymethylglutaryl-CoA synthase, cytoplasmic2.3.3.100.594
5hwqCAAHydroxymethylglutaryl-CoA synthase/0.593
5hwoHMGHydroxymethylglutaryl-CoA synthase/0.586
1txtCAAHMG-CoA synthase/0.575
5hwrCOAHydroxymethylglutaryl-CoA synthase/0.567
3sqzCOAPutative hydroxymethylglutaryl-CoA synthase/0.551
5hwpCOAHydroxymethylglutaryl-CoA synthase/0.522
1yslCOAHydroxymethylglutaryl-CoA synthase2.3.3.100.506
2cibCM6Lanosterol 14-alpha demethylase1.14.13.700.495
1kbqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.494
4oztP1AEcdysone receptor, putative/0.492
1d4aFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.488
1xe55FEPlasmepsin-23.4.23.390.485
1qy5NECEndoplasmin/0.481
4uwmFMN3,6-diketocamphane 1,6 monooxygenase1.14.130.481
3fun798Leukotriene A-4 hydrolase3.3.2.60.479
2hdjNDPAldo-keto reductase family 1 member C2/0.478
4q71FADBifunctional protein PutA/0.478
1qrpHH0Pepsin A-43.4.23.10.477
1xddAAYIntegrin alpha-L/0.477
3lpiZ74Beta-secretase 13.4.23.460.474
3eksCY9Actin-5C/0.473
2givACOHistone acetyltransferase KAT8/0.472
2hpsCTZCa2+-triggered coelenterazine-binding protein 1/0.471
2rhrEMOPutative ketoacyl reductase1.3.10.471
3ekuCY9Actin-5C/0.470
3h3qH13Collagen type IV alpha-3-binding protein/0.470
4dh60KNBeta-secretase 13.4.23.460.470
1dirNADDihydropteridine reductase1.5.1.340.469
1t7o152Carnitine O-acetyltransferase2.3.1.70.469
4gdy0X1Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.469
3och2MXDihydrofolate reductase1.5.1.30.468
3phiNDPShikimate dehydrogenase (NADP(+))/0.468
5a4kFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.468
5c2tFADSuccinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial/0.468
1h69FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.467
2fznFADBifunctional protein PutA1.5.5.20.467
2gh5FADGlutathione reductase, mitochondrial1.8.1.70.467
4twnB96Ephrin type-A receptor 32.7.10.10.467
3junAKDPhenazine biosynthesis protein A/B/0.466
4b8wNAPGDP-L-fucose synthase1.1.1.2710.466
1gpdNADGlyceraldehyde-3-phosphate dehydrogenase1.2.1.120.465
2qo5CHDFatty acid-binding protein 10-A, liver basic/0.465
3cib314Beta-secretase 13.4.23.460.465
3sn6P0GBeta-2 adrenergic receptor/0.465
1rfuADPPyridoxal kinase2.7.1.350.464
3d91REMRenin3.4.23.150.464
3nmpPYVAbscisic acid receptor PYL2/0.464
2e0nSAHPrecorrin-2 C20-methyltransferase/0.463
2gjnFMNNitronate monooxygenase1.13.12.160.463
2gv8NDPThiol-specific monooxygenase1.14.130.463
4i0h1BLBeta-secretase 13.4.23.460.463
4xo7NAPAldo-keto reductase family 1 member C2/0.463
1ddrMTXDihydrofolate reductase1.5.1.30.462
1g1aNADdTDP-glucose 4,6-dehydratase/0.462
2dteNAIGlucose 1-dehydrogenase related protein/0.462
5c7hNDPPutative oxidoreductase/0.462
2ktdPUCProstaglandin-H2 D-isomerase5.3.99.20.461
3em0CHDFatty acid-binding protein 6, ileal (gastrotropin)/0.461
1jolFFODihydrofolate reductase1.5.1.30.460
1obnASVIsopenicillin N synthase1.21.3.10.460
1zg32HIIsoflavone 4'-O-methyltransferase/0.460
2wd9IBPAcyl-coenzyme A synthetase ACSM2A, mitochondrial6.2.1.20.460
3f1kNAPUncharacterized oxidoreductase YciK10.460
3kjsNAPBifunctional dihydrofolate reductase-thymidylate synthase/0.460
4hp8NAP2-deoxy-D-gluconate 3-dehydrogenase/0.460
1h66FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.459
1x1cSAHC-20 methyltransferase/0.459
2b03TUDPhospholipase A2, major isoenzyme3.1.1.40.459
2i4jDRJPeroxisome proliferator-activated receptor gamma/0.459
2y6fM9FIsopenicillin N synthase1.21.3.10.459
4jtqNAPAldo-keto reductase family 1 member C2/0.459
1me6IVSPlasmepsin-23.4.23.390.458
1r5gAO1Methionine aminopeptidase 2/0.458
2ejzSAHDiphthine synthase/0.458
2om9AJAPeroxisome proliferator-activated receptor gamma/0.458
3jynNDPQuinone oxidoreductase/0.458
3o26NDPSalutaridine reductase/0.458
3wagTYDGlycosyltransferase/0.458
4j7xNAPSepiapterin reductase1.1.1.1530.458
1nbiSAMGlycine N-methyltransferase2.1.1.200.457
1u7tNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.457
2a0xDIHPurine nucleoside phosphorylase2.4.2.10.457
3u9fCLMChloramphenicol acetyltransferase2.3.1.280.457
3up0D7SaceDAF-12/0.457
3veu0GOBeta-secretase 13.4.23.460.457
4gh5NADShort-chain dehydrogenase/reductase SDR/0.457
4k8s1QTBeta-secretase 13.4.23.460.457
2pswCOAN-alpha-acetyltransferase 50/0.456
2vf3GVS4-diphosphocytidyl-2-C-methyl-D-erythritol kinase/0.456
4wecNADShort chain dehydrogenase/0.456
1blzACVIsopenicillin N synthase1.21.3.10.455
1kboFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.455
2gjlFMNNitronate monooxygenase1.13.12.160.455
2ntrL00Beta-secretase 13.4.23.460.455
2qbuSAHPrecorrin-2 methyltransferase/0.455
3qgf46FGenome polyprotein2.7.7.480.455
3v9y24LPeroxisome proliferator-activated receptor gamma/0.455
5bu2ADPUncharacterized protein/0.455
2rc4ACOHistone acetyltransferase KAT6A/0.454
3bxxQUEDihydroflavonol 4-reductase1.1.1.2190.454
3h3r14HCollagen type IV alpha-3-binding protein/0.454
3invNDPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.454
4a8v2ANMajor pollen allergen Bet v 1-J/0.454
4bfxZVXPantothenate kinase2.7.1.330.454
4eufNADTrans-2-enoyl-CoA reductase [NADH]/0.454
1qbgFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.453
2c27ACOMycothiol acetyltransferase2.3.1.1890.453
2i4zDRHPeroxisome proliferator-activated receptor gamma/0.453
2ien017Gag-Pol polyprotein3.4.23.160.453
2zevB71Geranylgeranyl pyrophosphate synthase/0.453
3d7kD7KBenzaldehyde lyase/0.453
3ohh3HHBeta-secretase 13.4.23.460.453
3pdqKC6Lysine-specific demethylase 4A1.14.110.453
4eplJAIJasmonic acid-amido synthetase JAR16.3.20.453
1bwkFMNNADPH dehydrogenase 11.6.99.10.452
1draMTXDihydrofolate reductase1.5.1.30.452
1psa0ZLPepsin A3.4.23.10.452
1qorNDPQuinone oxidoreductase 1/0.452
1qy8RDIEndoplasmin/0.452
2hejNDPAldo-keto reductase family 1 member C211.1.10.452
2iyaZIOOleandomycin glycosyltransferase/0.452
2nnlNAPDihydroflavonol 4-reductase1.1.1.2190.452
2ou2ACOHistone acetyltransferase KAT5/0.452
3lpkZ76Beta-secretase 13.4.23.460.452
3uylTYDProbable NDP-rhamnosyltransferase/0.452
4bb3KKAIsopenicillin N synthase1.21.3.10.452
4bfuZVUPantothenate kinase2.7.1.330.452
4ienCOAPutative acyl-CoA hydrolase/0.452
4l4xNDPAmphI/0.452
1bvrNADEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.451
2a94AP0L-lactate dehydrogenase1.1.1.270.451
2hpvFMNFMN-dependent NADH-azoreductase1.70.451
2j3jHC4NADPH-dependent oxidoreductase 2-alkenal reductase1.3.1.740.451
2ooyATP5'-AMP-activated protein kinase subunit gamma/0.451
2p9gNAID-3-phosphoglycerate dehydrogenase1.1.1.950.451
3kjrNAPBifunctional dihydrofolate reductase-thymidylate synthase/0.451
4ewn0VRImidazole glycerol phosphate synthase subunit HisF4.1.30.451
4g2yNI5cGMP-specific 3',5'-cyclic phosphodiesterase/0.451
1dhiMTXDihydrofolate reductase1.5.1.30.450
1esvLARActin, alpha skeletal muscle/0.450
1hb1OCVIsopenicillin N synthase1.21.3.10.450
2q1tNADPutative nucleotide sugar epimerase/ dehydratase/0.450
3fhxPLPPyridoxal kinase2.7.1.350.450
3q8uADPNucleoside diphosphate kinase/0.450
4b7754MBeta-secretase 13.4.23.460.450
4lcjNADC-terminal-binding protein 2/0.450
4nv14TGFormyl transferase/0.450
4nv1TYDFormyl transferase/0.450
4ryvZEAProtein LlR18A/0.450
1j49NADD-lactate dehydrogenase1.1.1.280.449
1jqiFADShort-chain specific acyl-CoA dehydrogenase, mitochondrial/0.449
1qoqIGPTryptophan synthase alpha chain/0.449
1tehNADAlcohol dehydrogenase class-31.1.1.10.449
2prh238Dihydroorotate dehydrogenase (quinone), mitochondrial1.3.5.20.449
2tctCTCTetracycline repressor protein class D/0.449
2wf4ZY4Beta-secretase 13.4.23.460.449
3bgcLJHGag-Pol polyprotein3.4.23.160.449
3drcMTXDihydrofolate reductase1.5.1.30.449
3pqbVGPPutative oxidoreductase/0.449
3vsxR32Renin3.4.23.150.449
4a83DXCMajor pollen allergen Bet v 1-A/0.449
4an4DUDPutative glycosyl transferase/0.449
4ipw1G7Mycocyclosin synthase1.14.21.90.449
4wjiNAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase/0.449
4y3zF41Endothiapepsin3.4.23.220.449
1cjkFOKAdenylate cyclase type 2/0.448
1cjkFOKAdenylate cyclase type 5/0.448
1dxqFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.448
1e3sNAD3-hydroxyacyl-CoA dehydrogenase type-21.1.1.350.448
1gg5FADNAD(P)H dehydrogenase [quinone] 11.6.5.20.448
1kkq471Peroxisome proliferator-activated receptor alpha/0.448
1qcwFNSCytochrome b2, mitochondrial1.1.2.30.448
1re7FOLDihydrofolate reductase1.5.1.30.448
1xelUPGUDP-glucose 4-epimerase5.1.3.20.448
2fj1CTCTetracycline repressor protein class D/0.448
2h3wHC5Carnitine O-acetyltransferase2.3.1.70.448
2vbpVB1Isopenicillin N synthase1.21.3.10.448
3p62FMNPentaerythritol tetranitrate reductase/0.448
3uwlFOZThymidylate synthase/0.448
4bcaFADAlkyldihydroxyacetonephosphate synthase, peroxisomal2.5.1.260.448
4blrUTPNTPase P4/0.448
4c7kNAPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.448
4f0rMTA5-methylthioadenosine/S-adenosylhomocysteine deaminase/0.448
4wda2AM2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.448
5kwvANPPantothenate synthetase/0.448
1dhfFOLDihydrofolate reductase1.5.1.30.447
1hb3SCVIsopenicillin N synthase1.21.3.10.447
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.447
1nvtNAPShikimate dehydrogenase (NADP(+))/0.447
1tysTMPThymidylate synthase/0.447
2a0yDIHPurine nucleoside phosphorylase2.4.2.10.447
2ad5ADPCTP synthase/0.447
2fa3ACOHydroxymethylglutaryl-CoA synthase/0.447
2iviACWIsopenicillin N synthase1.21.3.10.447
2ztmNADD(-)-3-hydroxybutyrate dehydrogenase/0.447
3dm6757Beta-secretase 13.4.23.460.447
3g5sFADMethylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO/0.447
3iaeD7KBenzaldehyde lyase/0.447
3kybFADUDP-galactopyranose mutase5.4.99.90.447
3mpiFADGlutaryl-CoA dehydrogenase1.3.99.320.447
3sw719KCyclin-dependent kinase 22.7.11.220.447
3zw9NADPeroxisomal bifunctional enzyme1.1.1.350.447
4b00I6XBeta-secretase 13.4.23.460.447
4ead0NPThymidine phosphorylase2.4.2.40.447
4phlPILPhosphodiesterase/0.447
4rflNDPGlycerol-1-phosphate dehydrogenase [NAD(P)+]/0.447
1bim0QBRenin3.4.23.150.446
1dhjMTXDihydrofolate reductase1.5.1.30.446
1h5qNAPNADP-dependent mannitol dehydrogenase1.1.1.1380.446
1x8vESLLanosterol 14-alpha demethylase1.14.13.700.446
1zdwFLVPrenyltransferase/0.446
2briANPUridylate kinase2.7.4.220.446
2cy0NAPShikimate dehydrogenase (NADP(+))/0.446
2ozuACOHistone acetyltransferase KAT6A/0.446
3bgxTMPThymidylate synthase/0.446
3owuEQUSteroid Delta-isomerase5.3.3.10.446
3wczNAPAldo-keto reductase AKR2E4/0.446
5dmhADP3-oxo-tetronate kinase/0.446
6cp4CAMCamphor 5-monooxygenase1.14.15.10.446
1a72PADAlcohol dehydrogenase E chain1.1.1.10.445
1pz1NAPGeneral stress protein 69/0.445
1t9gFADMedium-chain specific acyl-CoA dehydrogenase, mitochondrial1.3.8.70.445
2ctsCOACitrate synthase, mitochondrial2.3.3.10.445
2g247IGRenin3.4.23.150.445
2ob0ACON-alpha-acetyltransferase 50/0.445
2zsaADPPantothenate kinase2.7.1.330.445
3ad9NADSubunit alpha of sarocosine oxidase/0.445
3lpjZ75Beta-secretase 13.4.23.460.445
3nugNADPyridoxal 4-dehydrogenase1.1.1.1070.445
3qwbNDPProbable quinone oxidoreductase1.6.5.50.445
3t3r9PLCytochrome P450 2A61.14.130.445
4bfsZVSPantothenate kinase2.7.1.330.445
4iqlFMNEnoyl-(Acyl-carrier-protein) reductase II/0.445
4ku5DCC3-oxoacyl-[ACP] synthase III/0.445
4yaiNAIC alpha-dehydrogenase/0.445
5a4vQUEGlutathione S-transferase F22.5.1.180.445
1dxoFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.444
1ju9NADAlcohol dehydrogenase E chain1.1.1.10.444
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.444
1r2jFADFkbI/0.444
1z6tADPApoptotic protease-activating factor 1/0.444
2bsxNOSPurine nucleoside phosphorylase/0.444
2c12FADNitroalkane oxidase1.7.3.10.444
2c29NAPDihydroflavonol 4-reductase/0.444
2hdhNADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial1.1.1.350.444
2hfuMEVMevalonate kinase/0.444
3dghFADThioredoxin reductase 1, mitochondrial1.8.1.90.444
3dufR1TPyruvate dehydrogenase E1 component subunit alpha1.2.4.10.444
3dufR1TPyruvate dehydrogenase E1 component subunit beta1.2.4.10.444
3jswJARHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.444
3k4nFADPyranose 2-oxidase/0.444
3r5yF42Uncharacterized protein/0.444
4dpf0LGBeta-secretase 13.4.23.460.444
4tuvCPZCytochrome P450 1191.140.444
5irnADPNucleotide binding oligomerization domain containing 2/0.444
1diuBDMDihydrofolate reductase1.5.1.30.443
1hdrNADDihydropteridine reductase1.5.1.340.443
1osvCHCBile acid receptor/0.443
1uy9PU6Heat shock protein HSP 90-alpha/0.443
1xl8152Peroxisomal carnitine O-octanoyltransferase2.3.1.1370.443
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.443
2g1n1IGRenin3.4.23.150.443
2j3qTFLAcetylcholinesterase3.1.1.70.443
2q1wNADPutative nucleotide sugar epimerase/ dehydratase/0.443
2yphQQY2',3'-cyclic-nucleotide 3'-phosphodiesterase3.1.4.370.443
4e2dFMNDehydrogenase/0.443
4jx1CAHCamphor 5-monooxygenase1.14.15.10.443
4l1xNAPAldo-keto reductase family 1 member C2/0.443
4q73FADBifunctional protein PutA/0.443
5hs1VORLanosterol 14-alpha demethylase/0.443
1bdlIM1Gag-Pol polyprotein3.4.23.160.442
1ex75GPGuanylate kinase2.7.4.80.442
1l3iSAHProbable cobalt-precorrin-6B C(15)-methyltransferase (decarboxylating)/0.442
1lbcCYZGlutamate receptor 2/0.442
1mj9COAHistone acetyltransferase ESA1/0.442
2ewmNAD(S)-1-Phenylethanol dehydrogenase1.1.1.3110.442
2ftoCB3Thymidylate synthase/0.442
2g1r3IGRenin3.4.23.150.442
2po7CHDFerrochelatase, mitochondrial4.99.1.10.442
2wedPP6Penicillopepsin-13.4.23.200.442
2xaaNADSecondary alcohol dehydrogenase/0.442
2xf04UBSerine/threonine-protein kinase Chk12.7.11.10.442
2xiq5ADMethylmalonyl-CoA mutase, mitochondrial/0.442
3d2pCOAAmino-acid acetyltransferase/0.442
3gu83GUDeath-associated protein kinase 12.7.11.10.442
3h3t16HCollagen type IV alpha-3-binding protein/0.442
3lsiFADPyranose 2-oxidase/0.442
3ox4NADAlcohol dehydrogenase 21.1.1.10.442
3s1dZIRCytokinin dehydrogenase 11.5.99.120.442
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.442
4ejn0R4RAC-alpha serine/threonine-protein kinase2.7.11.10.442
4fncHMUG/T mismatch-specific thymine DNA glycosylase3.2.2.290.442
4kugNAD3-hydroxybutyryl-CoA dehydrogenase/0.442
4kz01UJPhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.442
4lj6ACPChaperone protein ClpB/0.442
4rsyB3NLeukotriene A-4 hydrolase3.3.2.60.442
4z63ILE_THR_GLN_TYS_TYSPhytosulfokine receptor 12.7.11.10.442
1culFOKAdenylate cyclase type 2/0.441
1culFOKAdenylate cyclase type 5/0.441
1dg8NDPDihydrofolate reductase1.5.1.30.441
1dyjDDFDihydrofolate reductase1.5.1.30.441
1qlhNADAlcohol dehydrogenase E chain1.1.1.10.441
2cbrA80Cellular retinoic acid-binding protein 1/0.441
2cgw3C3Serine/threonine-protein kinase Chk12.7.11.10.441
2ch6ADPN-acetyl-D-glucosamine kinase2.7.1.590.441
2gf6COAUncharacterized protein/0.441
3b70NAPEnoyl reductase LovC10.441
3dv3MEKDual specificity mitogen-activated protein kinase kinase 12.7.12.20.441
3dyqPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
3iw1ASDSteroid C26-monooxygenase1.14.13.1410.441
3qt62P0Mevalonate diphosphate decarboxylase/0.441
3s79ASDAromatase1.14.14.140.441
4b68FADL-ornithine N(5)-monooxygenase/0.441
4eudCOASuccinyl-CoA:acetate CoA-transferase/0.441
4iaxLIZNeutrophil gelatinase-associated lipocalin/0.441
5idwNAPShort-chain dehydrogenase/reductase SDR/0.441
1cg3IMOAdenylosuccinate synthetase/0.440
1drhNAPDihydrofolate reductase1.5.1.30.440
1ipeNDPTropinone reductase 21.1.1.2360.440
1l2sSTCBeta-lactamase3.5.2.60.440
1lf2R37Plasmepsin-23.4.23.390.440
1mjbACOHistone acetyltransferase ESA1/0.440
1n5dNDPCarbonyl reductase [NADPH] 1/0.440
1uzwCDHIsopenicillin N synthase1.21.3.10.440
1v0jFADUDP-galactopyranose mutase5.4.99.90.440
2a4nCOAAac(6')-Ii protein/0.440
2fw3BUICarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.440
2g5w8PG12-oxophytodienoate reductase 31.3.1.420.440
2vbdV10Isopenicillin N synthase1.21.3.10.440
2yee2ECHeat shock protein HSP 90-alpha/0.440
2ym1FADPhenylacetone monooxygenase1.14.13.920.440
2yxuATPPyridoxal kinase2.7.1.350.440
3b1dPLSBetaC-S lyase/0.440
3docNADGlyceraldehyde-3-phosphate dehydrogenase/0.440
3ggs2FDPurine nucleoside phosphorylase2.4.2.10.440
3giyFMN(S)-mandelate dehydrogenase1.1.99.310.440
4dfrMTXDihydrofolate reductase1.5.1.30.440
4fdnFADDecaprenylphosphoryl-beta-D-ribose oxidase/0.440
4obuPLPPyridoxal-dependent decarboxylase domain protein/0.440