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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
1ekoI84Aldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
1ekoI84Aldose reductase1.1.1.211.000
1ah0SBIAldose reductase1.1.1.210.658
2nvcITAAldose reductase1.1.1.210.651
4gabFIDAldo-keto reductase family 1 member B101.1.10.611
1ef3FIDAldose reductase1.1.1.210.609
2inzOHPAldose reductase1.1.1.210.600
2iqdLPAAldose reductase1.1.1.210.594
2is72CLAldose reductase1.1.1.210.583
2pdkSBIAldose reductase1.1.1.210.580
3p2vDOYAldose reductase1.1.1.210.570
2pd9FIDAldose reductase1.1.1.210.569
2pdj393Aldose reductase1.1.1.210.566
2f2kTGGAldose reductase1.1.1.210.561
2pdyFIDAldose reductase1.1.1.210.561
2pdfZSTAldose reductase1.1.1.210.559
3u2cSUZAldose reductase1.1.1.210.557
2pdwFIDAldose reductase1.1.1.210.552
2pdiZSTAldose reductase1.1.1.210.551
2pdmZSTAldose reductase1.1.1.210.550
1zuaTOLAldo-keto reductase family 1 member B101.1.10.549
2hvoZSTAldose reductase1.1.1.210.548
3s3gTLTAldose reductase1.1.1.210.548
3v35NTIAldose reductase1.1.1.210.548
1pwmFIDAldose reductase1.1.1.210.543
1el3I84Aldose reductase1.1.1.210.538
2hvnZSTAldose reductase1.1.1.210.529
2pdh47DAldose reductase1.1.1.210.527
2agtFIDAldose reductase1.1.1.210.520
1x96NAPAldose reductase1.1.1.210.516
5liu388Aldo-keto reductase family 1 member B101.1.10.516
2xupTZ5Acetylcholinesterase3.1.1.70.500
2fzbTOLAldose reductase1.1.1.210.499
1hfrMOTDihydrofolate reductase1.5.1.30.497
2pdg47DAldose reductase1.1.1.210.497
2acuNAPAldose reductase1.1.1.210.496
1ut6A8NAcetylcholinesterase3.1.1.70.494
1opmIYGPeptidyl-glycine alpha-amidating monooxygenase1.14.17.30.493
1ry0PG2Aldo-keto reductase family 1 member C3/0.491
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.490
2bjsACVIsopenicillin N synthase1.21.3.10.486
2pdlTOLAldose reductase1.1.1.210.485
4gts7TPGeranylgeranyl transferase type-2 subunit beta2.5.1.600.483
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.482
1z3n3NAAldose reductase1.1.1.210.481
2ipiAKYAclacinomycin-N/aclacinomycin-A oxidase/0.481
1ohjCOPDihydrofolate reductase1.5.1.30.479
4m6kFOLDihydrofolate reductase1.5.1.30.479
2acqNAPAldose reductase1.1.1.210.478
1q83TZ5Acetylcholinesterase3.1.1.70.477
3cv7C2UAlcohol dehydrogenase [NADP(+)]1.1.1.20.477
3nu03TUDihydrofolate reductase1.5.1.30.477
1ry8RUTAldo-keto reductase family 1 member C3/0.476
2xlpNAPPutative flavin-containing monooxygenase/0.475
4dbs0HVAldo-keto reductase family 1 member C3/0.475
3hxeBD8Geranylgeranyl transferase type-2 subunit beta2.5.1.600.474
3v36NAPAldose reductase1.1.1.210.474
1e66HUXAcetylcholinesterase3.1.1.70.473
2gbyBRNHTH-type transcriptional regulator QacR/0.473
3aivHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic3.2.1.1820.473
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.473
4b144XBGlycylpeptide N-tetradecanoyltransferase/0.473
4gv08MEPoly [ADP-ribose] polymerase 32.4.2.300.473
1eveE20Acetylcholinesterase3.1.1.70.472
3cavCI23-oxo-5-beta-steroid 4-dehydrogenase/0.472
1y2bDEEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.471
2w6cBM4Acetylcholinesterase3.1.1.70.471
3nubUD0UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase2.6.1.980.471
1dx6GNTAcetylcholinesterase3.1.1.70.470
2fzdTOLAldose reductase1.1.1.210.470
3uzzTES3-oxo-5-beta-steroid 4-dehydrogenase/0.470
1qtiGNTAcetylcholinesterase3.1.1.70.469
3cgtBCDCyclomaltodextrin glucanotransferase2.4.1.190.469
3exfTPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.468
3exfTPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.468
4pnmNU1Tankyrase-22.4.2.300.468
1us0LDTAldose reductase1.1.1.210.467
1zgbA1EAcetylcholinesterase3.1.1.70.467
2y6fM9FIsopenicillin N synthase1.21.3.10.467
3m4h388Aldose reductase1.1.1.210.467
3ppkFNISerine/threonine-protein kinase B-raf2.7.11.10.467
2xi4AFTAcetylcholinesterase3.1.1.70.466
3ghuLDTAldose reductase1.1.1.210.466
4drjRAPSerine/threonine-protein kinase mTOR2.7.11.10.466
4drjRAPPeptidyl-prolyl cis-trans isomerase FKBP45.2.1.80.466
4kxjP34Nucleoprotein/0.466
3hiiPNTAmiloride-sensitive amine oxidase [copper-containing]/0.465
3hxbBD5Geranylgeranyl transferase type-2 subunit beta2.5.1.600.465
3mauPLRPutative sphingosine-1-phosphate lyase/0.465
3pz3PZ3Geranylgeranyl transferase type-2 subunit beta2.5.1.600.465
1hb3SCVIsopenicillin N synthase1.21.3.10.464
2ckmAA7Acetylcholinesterase3.1.1.70.464
2pb1NFGGlucan 1,3-beta-glucosidase/0.464
3arzI5IChitinase A/0.464
3gyf51PDihydrofolate reductase1.5.1.30.464
3u57DH8Raucaffricine-O-beta-D-glucosidase3.2.1.1250.464
4bbhYBNGlycylpeptide N-tetradecanoyltransferase/0.464
2yneYNEGlycylpeptide N-tetradecanoyltransferase/0.463
3c72CX1Geranylgeranyl transferase type-2 subunit beta2.5.1.600.463
3u5ySCGRaucaffricine-O-beta-D-glucosidase3.2.1.1250.463
4jtqNAPAldo-keto reductase family 1 member C2/0.463
4yu153NAldose reductase1.1.1.210.463
1e1fPSG4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic3.2.1.1820.462
2xuoTZ4Acetylcholinesterase3.1.1.70.462
2aotSAHHistamine N-methyltransferase2.1.1.80.461
2cekN8TAcetylcholinesterase3.1.1.70.461
2e8uIPEGeranylgeranyl pyrophosphate synthase/0.461
2v2zCDM4-diphosphocytidyl-2-C-methyl-D-erythritol kinase/0.461
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.461
3f3y4OABile salt sulfotransferase2.8.2.140.461
3mc5393Aldose reductase1.1.1.210.461
4gca2X9Aldose reductase1.1.1.210.461
1isgAGSADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 23.2.2.60.460
1pj6FOLDimethylglycine oxidase1.5.3.100.460
2ha6SCKAcetylcholinesterase3.1.1.70.460
2pdc393Aldose reductase1.1.1.210.460
2y60M8FIsopenicillin N synthase1.21.3.10.460
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.460
3k4551PDihydrofolate reductase1.5.1.30.460
3r8hZOMAldo-keto reductase family 1 member C3/0.460
3zv7NHGAcetylcholinesterase3.1.1.70.460
1zq5E04Aldo-keto reductase family 1 member C3/0.459
3ntz3TZDihydrofolate reductase1.5.1.30.459
4dbw511Aldo-keto reductase family 1 member C3/0.459
1odcA8BAcetylcholinesterase3.1.1.70.458
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.458
1w6rGNTAcetylcholinesterase3.1.1.70.458
3v94WYQPhosphodiesterase/0.458
4kfjFOLDihydrofolate reductase1.5.1.30.458
1ni4TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.456
1ni4TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.456
1t40ID5Aldose reductase1.1.1.210.456
2j3qTFLAcetylcholinesterase3.1.1.70.456
2xujTZ5Acetylcholinesterase3.1.1.70.456
3fsjD7KBenzoylformate decarboxylase4.1.1.70.456
3lboLDTAldose reductase1.1.1.210.456
4b7zQ4QAcetylcholinesterase3.1.1.70.456
4drhRAPSerine/threonine-protein kinase mTOR2.7.11.10.456
4drhRAPPeptidyl-prolyl cis-trans isomerase FKBP55.2.1.80.456
1u70MTXDihydrofolate reductase1.5.1.30.455
1zgcA2EAcetylcholinesterase3.1.1.70.455
1ah3TOLAldose reductase1.1.1.210.454
1bk0ACVIsopenicillin N synthase1.21.3.10.454
4kebFOLDihydrofolate reductase1.5.1.30.454
1u65CP0Acetylcholinesterase3.1.1.70.453
3aiqHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic3.2.1.1820.453
1efyBZCPoly [ADP-ribose] polymerase 12.4.2.300.452
2vbpVB1Isopenicillin N synthase1.21.3.10.452
2vq7NAPPutative flavin-containing monooxygenase/0.452
3ghwGHWDihydrofolate reductase1.5.1.30.452
3hxcBD6Geranylgeranyl transferase type-2 subunit beta2.5.1.600.452
3qen5BTDeoxycytidine kinase2.7.1.740.452
1s3uTQDDihydrofolate reductase1.5.1.30.451
2ejzSAHDiphthine synthase/0.451
2hdjNDPAldo-keto reductase family 1 member C2/0.451
2pzn393Aldose reductase1.1.1.210.451
2qw8NAPEugenol synthase 11.1.1.3180.451
3wtkTH4Acetylcholine-binding protein/0.451
4ga8SBIAldo-keto reductase family 1 member B101.1.10.451
1p33MTXPteridine reductase 11.5.1.330.450
1s07PLPAdenosylmethionine-8-amino-7-oxononanoate aminotransferase2.6.1.620.450
1w4lGL8Acetylcholinesterase3.1.1.70.450
2aclL05Oxysterols receptor LXR-alpha/0.450
2vrjNCWBeta-glucosidase A3.2.1.210.450
3burTES3-oxo-5-beta-steroid 4-dehydrogenase/0.450
3zoiM2WIsopenicillin N synthase1.21.3.10.450
4hhz15SPoly [ADP-ribose] polymerase 12.4.2.300.450
1votHUPAcetylcholinesterase3.1.1.70.449
3gi2GHWDihydrofolate reductase1.5.1.30.449
4kn104JFolate receptor beta/0.449
1hb1OCVIsopenicillin N synthase1.21.3.10.448
1x2eATXProline iminopeptidase3.4.11.50.448
2bxoOPBSerum albumin/0.448
2gyuHI6Acetylcholinesterase3.1.1.70.448
2wo7ASVIsopenicillin N synthase1.21.3.10.448
2xukTZ5Acetylcholinesterase3.1.1.70.448
3g5eQ74Aldose reductase1.1.1.210.448
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.448
4bj9UHBTankyrase-22.4.2.300.448
4fam0SZAldo-keto reductase family 1 member C3/0.448
4g0k0VSGlutathionyl-hydroquinone reductase YqjG1.80.448
1pqc444Oxysterols receptor LXR-beta/0.447
1uhoVDNcGMP-specific 3',5'-cyclic phosphodiesterase/0.447
2dhfDZFDihydrofolate reductase1.5.1.30.447
2nmtMIMGlycylpeptide N-tetradecanoyltransferase2.3.1.970.447
3rl45GPMetallophosphoesterase MPPED23.10.447
4hmn16JAldo-keto reductase family 1 member C3/0.447
4kbn25UDihydrofolate reductase1.5.1.30.447
1xf0ASDAldo-keto reductase family 1 member C3/0.446
1z8962PAldose reductase1.1.1.210.446
3h3qH13Collagen type IV alpha-3-binding protein/0.446
3nytULPUDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase2.6.1.980.446
4m0f1YKAcetylcholinesterase3.1.1.70.446
1h22E10Acetylcholinesterase3.1.1.70.445
1mmvH4BNitric oxide synthase, brain1.14.13.390.445
1ycgFMNNitric oxide reductase10.445
3hxfBD9Geranylgeranyl transferase type-2 subunit beta2.5.1.600.445
3w5eNVWcAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.445
4arbC57Acetylcholinesterase3.1.1.70.445
1dgbNDPCatalase1.11.1.60.444
1zknIBMcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.444
2aot2PMHistamine N-methyltransferase2.1.1.80.444
2zevIPEGeranylgeranyl pyrophosphate synthase/0.444
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.444
4l5b1UXDeoxycytidine kinase2.7.1.740.444
4paaTHGDimethylglycine dehydrogenase, mitochondrial1.5.8.40.444
1blzACVIsopenicillin N synthase1.21.3.10.443
1sg0STLRibosyldihydronicotinamide dehydrogenase [quinone]/0.443
2pdxZSTAldose reductase1.1.1.210.443
3c49KU8Poly [ADP-ribose] polymerase 32.4.2.300.443
3dyqPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.443
3mjrAC2Deoxycytidine kinase2.7.1.740.443
4araC56Acetylcholinesterase3.1.1.70.443
4bb6HD1Corticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.443
4ixt1H1Halohydrin dehalogenase/0.443
4l6s1WQPoly [ADP-ribose] polymerase 12.4.2.300.443
4qa0SHHHistone deacetylase 83.5.1.980.443
5a4vQUEGlutathione S-transferase F22.5.1.180.443
1y2k7DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
2gywOBIAcetylcholinesterase3.1.1.70.442
2i16LDTAldose reductase1.1.1.210.442
2ouyCMPcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.442
3g58988cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
3hxdBD7Geranylgeranyl transferase type-2 subunit beta2.5.1.600.442
4lngJANCaaX farnesyltransferase beta subunit Ram1/0.442
4wevSUZAldo-keto reductase family 1 member B101.1.10.442
4wo5324Serine/threonine-protein kinase B-raf2.7.11.10.442
1k4gAIQQueuine tRNA-ribosyltransferase2.4.2.290.441
1kmsLIHDihydrofolate reductase1.5.1.30.441
1pq944BOxysterols receptor LXR-beta/0.441
1y2c3DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.441
2aj4ANPGalactokinase2.7.1.60.441
2aouCQAHistamine N-methyltransferase2.1.1.80.441
2ohhFMNType A flavoprotein FprA10.441
2xuiTZ5Acetylcholinesterase3.1.1.70.441
3caqNDP3-oxo-5-beta-steroid 4-dehydrogenase/0.441
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.441
3n0hTOPDihydrofolate reductase1.5.1.30.441
4c49HCYCorticosteroid-binding globulin/0.441
4jpg1OXPyruvate kinase PKM2.7.1.400.441
1sdwIYTPeptidyl-glycine alpha-amidating monooxygenase1.14.17.30.440
2o8h227cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.440
2poqISDTrans-1,2-dihydrobenzene-1,2-diol dehydrogenase1.3.1.200.440
2v2vV124-diphosphocytidyl-2-C-methyl-D-erythritol kinase/0.440
3geyP34Poly [ADP-ribose] polymerase 152.4.2.300.440
3nx2FERFerulic acid decarboxylase/0.440
3r8gIZPAldo-keto reductase family 1 member C3/0.440
4m6l21VDihydrofolate reductase1.5.1.30.440
5ds309LPoly [ADP-ribose] polymerase 12.4.2.300.440