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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
3b28B2XHeat shock protein HSP 90-alpha

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
3b28B2XHeat shock protein HSP 90-alpha/1.000
3whaWHAHeat shock protein HSP 90-alpha/0.744
3hhu819Heat shock protein HSP 90-alpha/0.651
1yc14BCHeat shock protein HSP 90-alpha/0.630
2qg0A94Heat shock protein HSP 90-alpha/0.612
3rlr3RRHeat shock protein HSP 90-alpha/0.611
2yegXQGHeat shock protein HSP 90-alpha/0.606
4fcr0TMHeat shock protein HSP 90-alpha/0.597
2bz5AB4Heat shock protein HSP 90-alpha/0.595
1u0zRDCEndoplasmin/0.594
2bt0CT5Heat shock protein HSP 90-alpha/0.594
1qy5NECEndoplasmin/0.589
3r4pFU7Heat shock protein HSP 90-alpha/0.589
2xabVHDHeat shock protein HSP 90-alpha/0.584
1yszNECEndoplasmin/0.583
5f5rANPHeat shock protein 75 kDa, mitochondrial/0.579
2qfoA13Heat shock protein HSP 90-alpha/0.573
3ekoPYUHeat shock protein HSP 90-alpha/0.573
2xhrC0PHeat shock protein HSP 90-alpha/0.571
4bqjXKLHeat shock protein HSP 90-alpha/0.570
2wi6ZZ6Heat shock protein HSP 90-alpha/0.569
1bgqRDCATP-dependent molecular chaperone HSP82/0.566
1qy8RDIEndoplasmin/0.566
3ekrPY9Heat shock protein HSP 90-alpha/0.565
2fypRDEEndoplasmin/0.561
2qfoA51Heat shock protein HSP 90-alpha/0.560
3vhaVHAHeat shock protein HSP 90-alpha/0.556
3rlq3RQHeat shock protein HSP 90-alpha/0.554
2breKJ2ATP-dependent molecular chaperone HSP82/0.550
1am1ADPATP-dependent molecular chaperone HSP82/0.549
2yi5YI5Heat shock protein HSP 90-alpha/0.547
2byh2D7Heat shock protein HSP 90-alpha/0.546
1u0yPA7Endoplasmin/0.543
3r4nFU5Heat shock protein HSP 90-alpha/0.543
1uy8PU5Heat shock protein HSP 90-alpha/0.540
2iwxM1SATP-dependent molecular chaperone HSP82/0.538
4ce2BO5ATP-dependent molecular chaperone HSP82/0.536
3k99PFTHeat shock protein HSP 90-alpha/0.534
1amwADPATP-dependent molecular chaperone HSP82/0.533
2gfdRDAEndoplasmin/0.533
1uyiPUZHeat shock protein HSP 90-alpha/0.530
3k974CDHeat shock protein HSP 90-alpha/0.530
1yc34BCHeat shock protein HSP 90-alpha/0.529
2wepADPATP-dependent molecular chaperone HSP82/0.529
3r4oFU3Heat shock protein HSP 90-alpha/0.528
2hg1N5OEndoplasmin/0.525
2gqpPA7Endoplasmin/0.521
2hchN5AEndoplasmin/0.521
1uycPU7Heat shock protein HSP 90-alpha/0.520
3iedAN2HSP90/0.520
1u2oNECEndoplasmin/0.518
2xk2ADPHeat shock protein HSP 90-alpha/0.518
3pehIBDEndoplasmin homolog, putative/0.515
3t2sAGSHeat shock protein HSP 90-alpha/0.515
3t10ACPHeat shock protein HSP 90-alpha/0.514
2yee2ECHeat shock protein HSP 90-alpha/0.513
2fwyH64Heat shock protein HSP 90-alpha/0.512
4jqlVJ6Heat shock protein HSP 90-alpha/0.512
1uy7PU4Heat shock protein HSP 90-alpha/0.511
2brcCT5ATP-dependent molecular chaperone HSP82/0.511
3hekBD0Heat shock protein HSP 90-alpha/0.511
2fwzH71Heat shock protein HSP 90-alpha/0.510
4hy6FJ1Heat shock protein HSP 90-alpha/0.510
3hz142CHeat shock protein HSP 90-alpha/0.509
2byi2DDHeat shock protein HSP 90-alpha/0.507
3omuIBDHeat shock protein 83/0.507
2iwuNP5ATP-dependent molecular chaperone HSP82/0.506
2xd6XD6ATP-dependent molecular chaperone HSP82/0.506
1y4sADPChaperone protein HtpG/0.505
3hyz42CHeat shock protein HSP 90-alpha/0.505
3hz137DHeat shock protein HSP 90-alpha/0.504
4egiB2JHeat shock protein HSP 90-alpha/0.504
4ewn0VRImidazole glycerol phosphate synthase subunit HisF4.1.30.504
4xcjADPHeat shock cognate 90 kDa protein/0.504
4ce17FKATP-dependent molecular chaperone HSP82/0.503
2xx213CATP-dependent molecular chaperone HSP82/0.501
1uyfPU1Heat shock protein HSP 90-alpha/0.500
3k981RCHeat shock protein HSP 90-alpha/0.500
2werRDCATP-dependent molecular chaperone HSP82/0.499
2wi72KLHeat shock protein HSP 90-alpha/0.499
2xjxXJXHeat shock protein HSP 90-alpha/0.498
2yjxYJXHeat shock protein HSP 90-alpha/0.494
3t1kANPHeat shock protein HSP 90-alpha/0.494
3q5kD1UHeat shock protein 83-1/0.493
4gqtADPHeat shock protein 90/0.492
1byqADPHeat shock protein HSP 90-alpha/0.490
2cgfP2NATP-dependent molecular chaperone HSP82/0.490
2xhtC0YHeat shock protein HSP 90-alpha/0.489
2xx413IATP-dependent molecular chaperone HSP82/0.489
2ykjYKJHeat shock protein HSP 90-alpha/0.489
3hz5Z64Heat shock protein HSP 90-alpha/0.488
3inxJZCHeat shock protein HSP 90-alpha/0.486
2fxsRDAATP-dependent molecular chaperone HSP82/0.485
3d0bSNXHeat shock protein HSP 90-alpha/0.483
4ce3L4VATP-dependent molecular chaperone HSP82/0.483
2yefANPHeat shock protein HSP 90-alpha/0.482
3qdd94MHeat shock protein HSP 90-alpha/0.482
2wi4ZZ4Heat shock protein HSP 90-alpha/0.481
4xclAGSHeat shock cognate 90 kDa protein/0.481
2xcmADPCytosolic heat shock protein 90/0.479
3inwJZBHeat shock protein HSP 90-alpha/0.479
4as94QSATP-dependent molecular chaperone HSP82/0.478
4eftEFTHeat shock protein HSP 90-alpha/0.475
2ykbYKBHeat shock protein HSP 90-alpha/0.473
4awp99AHeat shock protein HSP 90-alpha/0.470
3dy8IBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.469
1nhhANPDNA mismatch repair protein MutL/0.468
2p9cNAID-3-phosphoglycerate dehydrogenase1.1.1.950.468
2wi5ZZ5Heat shock protein HSP 90-alpha/0.468
1dirNADDihydropteridine reductase1.5.1.340.467
1osfKOSHeat shock protein HSP 90-alpha/0.466
1xe65FPPlasmepsin-23.4.23.390.466
4g74FADRotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial1.6.5.90.466
5a4kFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.466
1bwsNDPGDP-L-fucose synthase/0.465
2bu8ADP[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial2.7.11.20.465
2he5NDPAldo-keto reductase family 1 member C211.1.10.465
4i8zG08Gag-Pol polyprotein3.4.23.160.465
1yetGDMHeat shock protein HSP 90-alpha/0.464
1t2bCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.463
2o1uANPEndoplasmin/0.463
2yejZZ3Heat shock protein HSP 90-alpha/0.463
4dbzNDPPutative ketoacyl reductase1.3.10.463
4l6gCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.463
1dhiMTXDihydrofolate reductase1.5.1.30.462
1me6IVSPlasmepsin-23.4.23.390.462
4k28NADShikimate dehydrogenase family protein/0.462
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.461
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.461
2d29FADAcyl-CoA dehydrogenase/0.461
2hfuMEVMevalonate kinase/0.460
3ha5SFGHydroxymycolate synthase MmaA42.1.10.460
1o76CAMCamphor 5-monooxygenase1.14.15.10.458
3b7dCNIGlutamate receptor 2/0.458
4z1fH71Heat shock protein 75 kDa, mitochondrial/0.457
1dhrNADDihydropteridine reductase1.5.1.340.456
3a6rFMNFMN-binding protein/0.456
3tog079Gag-Pol polyprotein2.7.7.490.456
4lhtCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.456
3crlANP[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial2.7.11.20.455
3gqvNAPEnoyl reductase LovC10.454
3h06VBPGlutamate receptor 2/0.454
4xdmGDMHeat shock cognate 90 kDa protein/0.454
1ps9MDE2,4-dienoyl-CoA reductase1.3.1.340.453
2npaMMBPeroxisome proliferator-activated receptor alpha/0.453
2q1uNADPutative nucleotide sugar epimerase/ dehydratase/0.453
3h3qH13Collagen type IV alpha-3-binding protein/0.453
4a862ANMajor pollen allergen Bet v 1-A/0.453
1lf2R37Plasmepsin-23.4.23.390.452
3d4pNADL-lactate dehydrogenase 11.1.1.270.452
3dysIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.452
3p74FMNPentaerythritol tetranitrate reductase/0.452
4acuQN7Beta-secretase 13.4.23.460.452
4dieC5PCytidylate kinase/0.452
4uyf73BBromodomain-containing protein 2/0.452
1d4aFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.451
1pjcNADAlanine dehydrogenase/0.451
2gjlFMNNitronate monooxygenase1.13.12.160.451
3otwCOAPhosphopantetheine adenylyltransferase/0.451
3pejBC2Endoplasmin homolog, putative/0.451
4zjuNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.451
2b53D23Cyclin-dependent kinase 22.7.11.220.450
2exlGDMEndoplasmin/0.450
2y0mACOHistone acetyltransferase KAT8/0.450
2z54AB1Gag-Pol polyprotein3.4.23.160.450
2ztvNADD(-)-3-hydroxybutyrate dehydrogenase/0.450
3bva2NCGag-Pol polyprotein3.4.23.160.450
3iqhTYR_ASP_ILECysteine synthase2.5.1.470.450
3mpiFADGlutaryl-CoA dehydrogenase1.3.99.320.450
3orfNADDihydropteridine reductase1.5.1.340.450
3so9017Pol protein/0.450
3wbbNAPMeso-diaminopimelate D-dehydrogenase/0.450
4a81DXCMajor pollen allergen Bet v 1-A/0.450
4g47TZFMycocyclosin synthase1.14.21.90.450
4gdy0X1Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial2.6.1.390.450
4xc0ACPHeat shock cognate 90 kDa protein/0.450
1xddAAYIntegrin alpha-L/0.449
3lpkZ76Beta-secretase 13.4.23.460.449
3p0hFSEPutative tyrosyl-tRNA synthetase/0.449
4jtqNAPAldo-keto reductase family 1 member C2/0.449
1kc1NDPdTDP-4-dehydrorhamnose reductase1.1.1.1330.448
1lf3EH5Plasmepsin-23.4.23.390.448
2npxNADNADH peroxidase1.11.1.10.448
2yjwYJWHeat shock protein HSP 90-alpha/0.448
2z0ySAMRibosomal RNA small subunit methyltransferase E/0.448
3a20FMNFMN-binding protein/0.448
3dynPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.448
3g45988cAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.448
3tjzGNPADP-ribosylation factor 1/0.448
4a30QMIGlycylpeptide N-tetradecanoyltransferase/0.448
4asg814ATP-dependent molecular chaperone HSP82/0.448
1i59ANPChemotaxis protein CheA2.7.13.30.447
1nvtNAPShikimate dehydrogenase (NADP(+))/0.447
1zxnADPDNA topoisomerase 2-alpha5.99.1.30.447
2abbFMNPentaerythritol tetranitrate reductase/0.447
2cy0NAPShikimate dehydrogenase (NADP(+))/0.447
2gjnFMNNitronate monooxygenase1.13.12.160.447
2rbeNDPCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.447
2ylxFADPhenylacetone monooxygenase1.14.13.920.447
2zbaZBATrichothecene 3-O-acetyltransferase/0.447
3dys5GPHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.447
4bfxZVXPantothenate kinase2.7.1.330.447
4g2l0WLHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.447
4hbm0Y7E3 ubiquitin-protein ligase Mdm26.3.20.447
4hp8NAP2-deoxy-D-gluconate 3-dehydrogenase/0.447
4l4eCAMCamphor 5-monooxygenase1.14.15.10.447
4nh82LCHeat shock protein HSP 90-alpha/0.447
1jd0AZMCarbonic anhydrase 124.2.1.10.446
1lrjUD1UDP-glucose 4-epimerase5.1.3.20.446
1tllFMNNitric oxide synthase, brain1.14.13.390.446
2g1s4IGRenin3.4.23.150.446
2iwsNP4ATP-dependent molecular chaperone HSP82/0.446
2x0iNAIMalate dehydrogenase/0.446
3cid318Beta-secretase 13.4.23.460.446
3kb1ADPIron-sulfur cluster carrier protein/0.446
3kjm245Cytokinin dehydrogenase 11.5.99.120.446
3t0zATPHeat shock protein HSP 90-alpha/0.446
4b4vL34Bifunctional protein FolD/0.446
4h8aNAIUreidoglycolate dehydrogenase (NAD(+))1.1.1.3500.446
1o9bNAIQuinate/shikimate dehydrogenase/0.445
1qrpHH0Pepsin A-43.4.23.10.445
1vceSAHDiphthine synthase/0.445
1yt0ADPEndoplasmin/0.445
2a94AP0L-lactate dehydrogenase1.1.1.270.445
2ien017Gag-Pol polyprotein3.4.23.160.445
2qboCAMCamphor 5-monooxygenase1.14.15.10.445
3elbC5PEthanolamine-phosphate cytidylyltransferase2.7.7.140.445
3sp6IL2Peroxisome proliferator-activated receptor alpha/0.445
4b722FBBeta-secretase 13.4.23.460.445
5a0yCOMMethyl-coenzyme M reductase I subunit alpha2.8.4.10.445
5a0yCOMMethyl-coenzyme M reductase I subunit beta2.8.4.10.445
1ay0TPPTransketolase 12.2.1.10.444
1diuBDMDihydrofolate reductase1.5.1.30.444
1m0b0ZQGag-Pol polyprotein3.4.23.160.444
1yc443PHeat shock protein HSP 90-alpha/0.444
2cig1DGDihydrofolate reductase1.5.1.30.444
2e07SAHDiphthine synthase/0.444
2e0nSAHPrecorrin-2 C20-methyltransferase/0.444
2i7pACOPantothenate kinase 32.7.1.330.444
2uwd2GGHeat shock protein HSP 90-alpha/0.444
2zdyADP[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial2.7.11.20.444
3eheNADUDP-glucose 4-epimerase (GalE-1)/0.444
3l63CAMCamphor 5-monooxygenase1.14.15.10.444
3lsmSFDPyranose 2-oxidase/0.444
3lzs017Gag-Pol polyprotein3.4.23.160.444
3p62FMNPentaerythritol tetranitrate reductase/0.444
3p82FMNPentaerythritol tetranitrate reductase/0.444
4a8v2ANMajor pollen allergen Bet v 1-J/0.444
4b7754MBeta-secretase 13.4.23.460.444
4c3f7KWTyrosine-protein kinase Lck2.7.10.20.444
4fmxCNL1,8-cineole 2-endo-monooxygenase1.14.13.1560.444
4i13FOLDihydrofolate reductase1.5.1.30.444
4nbtNAD3-oxoacyl-[acyl-carrier-protein] reductase/0.444
1a8g2Z4Gag-Pol polyprotein3.4.23.160.443
1hdrNADDihydropteridine reductase1.5.1.340.443
1nzdUPGDNA beta-glucosyltransferase/0.443
1ohhANPATP synthase subunit alpha, mitochondrial/0.443
1ohhANPATP synthase subunit beta, mitochondrial3.6.3.140.443
1ohr1UNV-1 PROTEASE protein/0.443
1u8vFAD4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase/0.443
2e0aANP[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial2.7.11.20.443
2emrSAHDiphthine synthase/0.443
2xx513NATP-dependent molecular chaperone HSP82/0.443
2zuiCAMCamphor 5-monooxygenase1.14.15.10.443
3dgaNDPBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.443
3lsiFADPyranose 2-oxidase/0.443
3o0qADNVitamin B12-dependent ribonucleotide reductase/0.443
3qt62P0Mevalonate diphosphate decarboxylase/0.443
3s1dZIRCytokinin dehydrogenase 11.5.99.120.443
4asf62UATP-dependent molecular chaperone HSP82/0.443
1drhNAPDihydrofolate reductase1.5.1.30.442
1h63FMNPentaerythritol tetranitrate reductase/0.442
1uyhPU0Heat shock protein HSP 90-alpha/0.442
2ozuACOHistone acetyltransferase KAT6A/0.442
3b70NAPEnoyl reductase LovC10.442
3c11GDMATP-dependent molecular chaperone HSP82/0.442
3f03FMNPentaerythritol tetranitrate reductase/0.442
3q5lKX2Heat shock protein 83-1/0.442
4k9oTPPBenzoylformate decarboxylase4.1.1.70.442
4m87NADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.442
5b1yNDP3-oxoacyl-[acyl-carrier-protein] reductase/0.442
1bil0IURenin3.4.23.150.441
1hdcCBO3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase1.1.1.530.441
1mjaCOAHistone acetyltransferase ESA1/0.441
1n2sNAIdTDP-4-dehydrorhamnose reductase1.1.1.1330.441
1yrdCAMCamphor 5-monooxygenase1.14.15.10.441
2nmyROCProtease/0.441
2xpuTDCTetracycline repressor protein class D/0.441
4e907RGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
4eywL0RCarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.441
4r1lADPPhenylacetate-coenzyme A ligase/0.441
5ar4SB2Receptor-interacting serine/threonine-protein kinase 22.7.11.10.441
5hbrCOAAcyl-CoA synthetase (NDP forming)/0.441
2dteNAIGlucose 1-dehydrogenase related protein/0.440
2ggsNDPdTDP-4-dehydrorhamnose reductase/0.440
2q8iRDC[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial2.7.11.20.440
3bvb017Gag-Pol polyprotein3.4.23.160.440
3in6FMNUncharacterized protein/0.440
3m2uCOMMethyl-coenzyme M reductase I subunit alpha2.8.4.10.440
3m2vCOMMethyl-coenzyme M reductase I subunit alpha2.8.4.10.440
3mvqNDPGlutamate dehydrogenase 1, mitochondrial1.4.1.30.440
3phjDHKShikimate dehydrogenase (NADP(+))/0.440
4bgePYWEnoyl-[acyl-carrier-protein] reductase [NADH]1.3.1.90.440
4dh60KNBeta-secretase 13.4.23.460.440
4egh0OYHeat shock protein HSP 90-alpha/0.440
4ktkKTKCytochrome P450/0.440
4xfjANPArgininosuccinate synthase/0.440
5adhAPRAlcohol dehydrogenase E chain1.1.1.10.440
5cp4CAMCamphor 5-monooxygenase1.14.15.10.440