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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
3ft5MO8Heat shock protein HSP 90-alpha

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
3ft5MO8Heat shock protein HSP 90-alpha/1.000
2wi1ZZ2Heat shock protein HSP 90-alpha/0.695
2wi5ZZ5Heat shock protein HSP 90-alpha/0.683
2vci2GJHeat shock protein HSP 90-alpha/0.640
2uwd2GGHeat shock protein HSP 90-alpha/0.637
2vcj2EQHeat shock protein HSP 90-alpha/0.633
2bsmBSMHeat shock protein HSP 90-alpha/0.629
2yi7BZ8Heat shock protein HSP 90-alpha/0.622
2cct2E1Heat shock protein HSP 90-alpha/0.618
2yecXQ0Heat shock protein HSP 90-alpha/0.617
4egh0OYHeat shock protein HSP 90-alpha/0.610
4fcq2N6Heat shock protein HSP 90-alpha/0.600
2wi6ZZ6Heat shock protein HSP 90-alpha/0.599
4ipeANPTNF receptor-associated protein 1/0.584
2yjwYJWHeat shock protein HSP 90-alpha/0.576
2yeiXQIHeat shock protein HSP 90-alpha/0.573
2wi2ZZ3Heat shock protein HSP 90-alpha/0.563
2ye42FYHeat shock protein HSP 90-alpha/0.558
2ye92D4Heat shock protein HSP 90-alpha/0.554
3o0iP54Heat shock protein HSP 90-alpha/0.551
4xclAGSHeat shock cognate 90 kDa protein/0.545
3k974CDHeat shock protein HSP 90-alpha/0.527
4jqlVJ6Heat shock protein HSP 90-alpha/0.527
2yejZZ3Heat shock protein HSP 90-alpha/0.524
4egkRDCHeat shock protein HSP 90-alpha/0.520
2yi66QMHeat shock protein HSP 90-alpha/0.518
2yejXQKHeat shock protein HSP 90-alpha/0.517
3d0bSNXHeat shock protein HSP 90-alpha/0.515
2iorADPChaperone protein HtpG/0.514
2qg0A94Heat shock protein HSP 90-alpha/0.513
1y4sADPChaperone protein HtpG/0.512
2xjjL81Heat shock protein HSP 90-alpha/0.511
3ekrPY9Heat shock protein HSP 90-alpha/0.511
4xcjADPHeat shock cognate 90 kDa protein/0.511
3ekoPYUHeat shock protein HSP 90-alpha/0.507
3hz142CHeat shock protein HSP 90-alpha/0.503
2bt0CT5Heat shock protein HSP 90-alpha/0.502
2xd6XD6ATP-dependent molecular chaperone HSP82/0.502
2xjxXJXHeat shock protein HSP 90-alpha/0.502
1yc14BCHeat shock protein HSP 90-alpha/0.500
1osfKOSHeat shock protein HSP 90-alpha/0.498
2xabVHDHeat shock protein HSP 90-alpha/0.497
2bz5AB4Heat shock protein HSP 90-alpha/0.491
3hyz42CHeat shock protein HSP 90-alpha/0.491
2xjgXJGHeat shock protein HSP 90-alpha/0.490
1byqADPHeat shock protein HSP 90-alpha/0.487
2iwsNP4ATP-dependent molecular chaperone HSP82/0.487
4eftEFTHeat shock protein HSP 90-alpha/0.487
1yc443PHeat shock protein HSP 90-alpha/0.483
4awo99BHeat shock protein HSP 90-alpha/0.483
3k99PFTHeat shock protein HSP 90-alpha/0.482
3r83Z14Cyclin-dependent kinase 22.7.11.220.480
4hbgNDP3-oxoacyl-[acyl-carrier-protein] reductase1.1.1.1000.480
2gfdRDAEndoplasmin/0.478
2byh2D7Heat shock protein HSP 90-alpha/0.477
2dwbANPAurora kinase A2.7.11.10.476
1oguST8Cyclin-dependent kinase 22.7.11.220.474
1yc34BCHeat shock protein HSP 90-alpha/0.473
4xdmGDMHeat shock cognate 90 kDa protein/0.472
3o6o94MHeat shock protein 83/0.471
2wxvWXVCyclin-dependent kinase 22.7.11.220.470
2vw5BC6ATP-dependent molecular chaperone HSP82/0.469
3vhaVHAHeat shock protein HSP 90-alpha/0.468
4bfxZVXPantothenate kinase2.7.1.330.468
2pin4HYThyroid hormone receptor beta/0.467
3r4oFU3Heat shock protein HSP 90-alpha/0.467
1uykPUXHeat shock protein HSP 90-alpha/0.466
1zxnADPDNA topoisomerase 2-alpha5.99.1.30.465
2rhgIGPTryptophan synthase alpha chain/0.463
4r1fADPDNA topoisomerase 2-alpha5.99.1.30.463
1yetGDMHeat shock protein HSP 90-alpha/0.462
1nvsUCMSerine/threonine-protein kinase Chk12.7.11.10.461
4axaRKDcAMP-dependent protein kinase catalytic subunit alpha2.7.11.110.461
4ke11R6Beta-secretase 13.4.23.460.461
5dt3ATPAurora kinase A2.7.11.10.461
2xhrC0PHeat shock protein HSP 90-alpha/0.460
3o9gF53Gag-Pol polyprotein/0.460
4b7p9UNHeat shock protein HSP 90-alpha/0.460
4fod0UVALK tyrosine kinase receptor2.7.10.10.460
2wpwACOOrf14/0.459
3eljGS7Mitogen-activated protein kinase 82.7.11.240.459
3omuIBDHeat shock protein 83/0.459
4eomATPCyclin-dependent kinase 22.7.11.220.459
1phgMYTCamphor 5-monooxygenase1.14.15.10.458
1xe65FPPlasmepsin-23.4.23.390.458
3f7z34OGlycogen synthase kinase-3 beta2.7.11.260.458
4anx534Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.458
2uzlC94Cyclin-dependent kinase 22.7.11.220.457
3ezrEZRCyclin-dependent kinase 22.7.11.220.457
3mdmFJZCholesterol 24-hydroxylase/0.457
4an4DUDPutative glycosyl transferase/0.457
1uv5BRWGlycogen synthase kinase-3 beta2.7.11.260.456
1yrcCAMCamphor 5-monooxygenase1.14.15.10.456
2owkSAHDiphthine synthase/0.456
2rkgAB1Pol protein/0.456
3wrjCAMCamphor 5-monooxygenase1.14.15.10.456
4cesNFWIntegrase/0.456
3a28NADL-2,3-butanediol dehydrogenase1.1.1.760.455
4riyADPEpidermal growth factor receptor2.7.10.10.455
2np8CC3Aurora kinase A2.7.11.10.454
2ylxFADPhenylacetone monooxygenase1.14.13.920.454
3b28B2XHeat shock protein HSP 90-alpha/0.454
4acc7YGGlycogen synthase kinase-3 beta2.7.11.260.454
4acdGR9Glycogen synthase kinase-3 beta2.7.11.260.454
4mgiCMPRap guanine nucleotide exchange factor 4/0.454
2c29NAPDihydroflavonol 4-reductase/0.453
3wrmCAMCamphor 5-monooxygenase1.14.15.10.453
1eioGCHGastrotropin/0.452
1zsr0ZTGag-Pol polyprotein3.4.23.160.452
3fwiCAMCamphor 5-monooxygenase1.14.15.10.452
4egiB2JHeat shock protein HSP 90-alpha/0.452
4ft7H3KSerine/threonine-protein kinase Chk12.7.11.10.452
5drdATPAurora kinase A2.7.11.10.452
2j2pSC2Ficolin-2/0.451
2qfoA13Heat shock protein HSP 90-alpha/0.451
2xx413IATP-dependent molecular chaperone HSP82/0.451
3rlp3RPHeat shock protein HSP 90-alpha/0.451
4asf62UATP-dependent molecular chaperone HSP82/0.451
4c3rACPAurora kinase A2.7.11.10.451
4jb1FADUDP-N-acetylenolpyruvoylglucosamine reductase/0.451
1nooCAHCamphor 5-monooxygenase1.14.15.10.450
1s0xC3SNuclear receptor ROR-alpha/0.450
2ojj82AMitogen-activated protein kinase 12.7.11.240.450
3wrhCAMCamphor 5-monooxygenase1.14.15.10.450
4asg814ATP-dependent molecular chaperone HSP82/0.450
4auxXTCTetracycline repressor protein class D/0.450
4nbtNAD3-oxoacyl-[acyl-carrier-protein] reductase/0.450
1j1cADPGlycogen synthase kinase-3 beta2.7.11.260.449
1uh5TCLEnoyl-ACP reductase/0.449
1uyuCAMCamphor 5-monooxygenase1.14.15.10.449
2ien017Gag-Pol polyprotein3.4.23.160.449
3cd3STUTyrosine-protein kinase Fes/Fps2.7.10.20.449
3inwJZBHeat shock protein HSP 90-alpha/0.449
3opdHIEHeat shock protein 83/0.449
4iva1J5Tyrosine-protein kinase JAK2/0.449
4yswFADXanthine dehydrogenase/oxidase/0.449
1kfcIPLTryptophan synthase alpha chain/0.448
1pyxANPGlycogen synthase kinase-3 beta2.7.11.260.448
1zxmANPDNA topoisomerase 2-alpha5.99.1.30.448
2h55DZ8Heat shock protein HSP 90-alpha/0.448
2ym2FADPhenylacetone monooxygenase1.14.13.920.448
3ibqATPPyridoxal kinase/0.448
3toh079Gag-Pol polyprotein2.7.7.490.448
4cp4CAMCamphor 5-monooxygenase1.14.15.10.448
4ez30S0Cyclin-dependent kinase 22.7.11.220.448
5dn3ATPAurora kinase A2.7.11.10.448
1u54ACPActivated CDC42 kinase 1/0.447
2ym1FADPhenylacetone monooxygenase1.14.13.920.447
3tnwF18Cyclin-dependent kinase 22.7.11.220.447
4gqtADPHeat shock protein 90/0.447
4rcvNDP1-deoxy-D-xylulose 5-phosphate reductoisomerase/0.447
1kfbIGPTryptophan synthase alpha chain/0.446
1oi9N20Cyclin-dependent kinase 22.7.11.220.446
3vw6IM6Mitogen-activated protein kinase kinase kinase 52.7.11.250.446
3whaWHAHeat shock protein HSP 90-alpha/0.446
4acg6LQGlycogen synthase kinase-3 beta2.7.11.260.446
4ce2BO5ATP-dependent molecular chaperone HSP82/0.446
5dr6SKEAurora kinase A2.7.11.10.446
5eypLOCTubulin beta chain/0.446
1nvqUCNSerine/threonine-protein kinase Chk12.7.11.10.445
1p0pBCHCholinesterase3.1.1.80.445
1vceSAHDiphthine synthase/0.445
2ahrNAPPyrroline-5-carboxylate reductase/0.445
2huvSAHDiphthine synthase/0.445
4i8zG08Gag-Pol polyprotein3.4.23.160.445
5cnsCDPRibonucleoside-diphosphate reductase 1 subunit alpha1.17.4.10.445
1g2vTTPGlucose-1-phosphate thymidylyltransferase/0.444
1hbvGANGag-Pol polyprotein/0.444
2c27ACOMycothiol acetyltransferase2.3.1.1890.444
2exmZIPCyclin-dependent kinase 22.7.11.220.444
2xckMH43-phosphoinositide-dependent protein kinase 12.7.11.10.444
3dt1P40Mitogen-activated protein kinase 14/0.444
3pxkPXKFocal adhesion kinase 12.7.10.20.444
4cfaWOPIntegrase/0.444
4oe4NADDelta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial1.2.1.880.444
1qr6NADNAD-dependent malic enzyme, mitochondrial1.1.1.380.443
1v59FADDihydrolipoyl dehydrogenase, mitochondrial1.8.1.40.443
1yrdCAMCamphor 5-monooxygenase1.14.15.10.443
2breKJ2ATP-dependent molecular chaperone HSP82/0.443
2vwqNAPGlucose 1-dehydrogenase/0.443
3fp0FP015-O-acetyltransferase/0.443
3hx4ANPCalmodulin-domain protein kinase 1/0.443
1z1rHBHGag-Pol polyprotein3.4.23.160.442
2brbPFQSerine/threonine-protein kinase Chk12.7.11.10.442
2iqgF2IBeta-secretase 13.4.23.460.442
2owfSAHDiphthine synthase/0.442
2xru400Aurora kinase A2.7.11.10.442
3cppCAMCamphor 5-monooxygenase1.14.15.10.442
3qt62P0Mevalonate diphosphate decarboxylase/0.442
3sc13S13-phosphoinositide-dependent protein kinase 12.7.11.10.442
3u9eCOALmo1369 protein/0.442
3w233RODihydroorotate dehydrogenase (fumarate)1.3.98.10.442
4ewn0VRImidazole glycerol phosphate synthase subunit HisF4.1.30.442
4j1rI5RGlycogen synthase kinase-3 beta2.7.11.260.442
1cbfSAHCobalt-precorrin-4 C(11)-methyltransferase2.1.1.2710.441
1hdcCBO3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase1.1.1.530.441
1p0ySAHRibulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic2.1.1.1270.441
1phePIYCamphor 5-monooxygenase1.14.15.10.441
2bxmIMNSerum albumin/0.441
2rh9IGPTryptophan synthase alpha chain/0.441
2zkjADP[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial2.7.11.20.441
3bv3P39Mitogen-activated protein kinase 14/0.441
3gb2G3BGlycogen synthase kinase-3 beta2.7.11.260.441
3nl6TPSUncharacterized protein/0.441
1m0b0ZQGag-Pol polyprotein3.4.23.160.440
1q5kTMUGlycogen synthase kinase-3 beta2.7.11.260.440
2cf6NAPCinnamyl alcohol dehydrogenase 51.1.1.1950.440
3a14NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase/0.440
3r5zF42Uncharacterized protein/0.440
3t10ACPHeat shock protein HSP 90-alpha/0.440
4bfzZVZPantothenate kinase2.7.1.330.440
4g3rCAMCamphor 5-monooxygenase1.14.15.10.440
4hp8NAP2-deoxy-D-gluconate 3-dehydrogenase/0.440
4xx9ATP3-phosphoinositide-dependent protein kinase 12.7.11.10.440
4yr9NADL-threonine 3-dehydrogenase, mitochondrial1.1.1.1030.440