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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
2qxwLDTAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
2qxwLDTAldose reductase1.1.1.211.000
2i16LDTAldose reductase1.1.1.210.814
3ghuLDTAldose reductase1.1.1.210.807
2i17LDTAldose reductase1.1.1.210.777
3g5eQ74Aldose reductase1.1.1.210.752
3ghtLDTAldose reductase1.1.1.210.751
1z3n3NAAldose reductase1.1.1.210.739
3ghsLDTAldose reductase1.1.1.210.729
1z8962PAldose reductase1.1.1.210.728
1us0LDTAldose reductase1.1.1.210.712
2duzZSTAldose reductase1.1.1.210.711
1t40ID5Aldose reductase1.1.1.210.705
3ld5LDTAldose reductase1.1.1.210.703
3ghrLDTAldose reductase1.1.1.210.687
2duxZSTAldose reductase1.1.1.210.680
2fz8ZSTAldose reductase1.1.1.210.679
2iki388Aldose reductase1.1.1.210.663
2hv5ZSTAldose reductase1.1.1.210.653
4yu153NAldose reductase1.1.1.210.653
1pwlBFIAldose reductase1.1.1.210.650
2hvoZSTAldose reductase1.1.1.210.644
2pdg47DAldose reductase1.1.1.210.644
3mb9ZSTAldose reductase1.1.1.210.638
2pzn393Aldose reductase1.1.1.210.636
3lboLDTAldose reductase1.1.1.210.634
2pdp393Aldose reductase1.1.1.210.624
3lqlLDTAldose reductase1.1.1.210.621
2fz9ZSTAldose reductase1.1.1.210.618
2pdu393Aldose reductase1.1.1.210.614
1t41ID5Aldose reductase1.1.1.210.606
2dv0ZSTAldose reductase1.1.1.210.604
2ikhLITAldose reductase1.1.1.210.603
2pdh47DAldose reductase1.1.1.210.602
4gca2X9Aldose reductase1.1.1.210.602
2pdfZSTAldose reductase1.1.1.210.601
2pdxZSTAldose reductase1.1.1.210.599
1ieiZESAldose reductase1.1.1.210.598
3lz5LDTAldose reductase1.1.1.210.597
2pdbZSTAldose reductase1.1.1.210.596
3t423T4Aldose reductase1.1.1.210.596
2ikj393Aldose reductase1.1.1.210.590
3lenZSTAldose reductase1.1.1.210.590
3mc5393Aldose reductase1.1.1.210.590
2pdc393Aldose reductase1.1.1.210.588
2pdn47DAldose reductase1.1.1.210.587
2pdlTOLAldose reductase1.1.1.210.585
3m4h388Aldose reductase1.1.1.210.585
1frbZSTAldose reductase-related protein 2/0.583
2pd5ZSTAldose reductase1.1.1.210.573
3m0iZSTAldose reductase1.1.1.210.565
2fzdTOLAldose reductase1.1.1.210.551
1ah3TOLAldose reductase1.1.1.210.543
2pdq47DAldose reductase1.1.1.210.531
1zuaTOLAldo-keto reductase family 1 member B101.1.10.523
3aivHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic3.2.1.1820.508
3m64393Aldose reductase1.1.1.210.506
2pdyFIDAldose reductase1.1.1.210.499
4ga8SBIAldo-keto reductase family 1 member B101.1.10.494
3aiqHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic3.2.1.1820.489
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.488
4jt81NRNAD-dependent protein deacetylase sirtuin-3, mitochondrial3.5.10.488
4li61XOTankyrase-12.4.2.300.487
2f2kTGGAldose reductase1.1.1.210.485
2ipiAKYAclacinomycin-N/aclacinomycin-A oxidase/0.484
3mjrAC2Deoxycytidine kinase2.7.1.740.484
2agtFIDAldose reductase1.1.1.210.483
4dbw511Aldo-keto reductase family 1 member C3/0.483
2is72CLAldose reductase1.1.1.210.482
1ry0PG2Aldo-keto reductase family 1 member C3/0.480
3wavDWVEctonucleotide pyrophosphatase/phosphodiesterase family member 23.1.4.390.479
5liu388Aldo-keto reductase family 1 member B101.1.10.479
2psjCEIRenilla-luciferin 2-monooxygenase1.13.12.50.478
1lnmDTXBilin-binding protein/0.477
4lsaBLDProtein BRASSINOSTEROID INSENSITIVE 12.7.10.10.476
1p91SAM23S rRNA (guanine(745)-N(1))-methyltransferase/0.473
4d2dALA_ALA_ALADi-or tripeptide:H+ symporter/0.473
3f3y4OABile salt sulfotransferase2.8.2.140.472
1ekoI84Aldose reductase1.1.1.210.471
1ry8RUTAldo-keto reductase family 1 member C3/0.471
4ky404JBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.471
3ghvGHCDihydrofolate reductase1.5.1.30.470
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.468
1yw7A41Methionine aminopeptidase 2/0.467
2pdmZSTAldose reductase1.1.1.210.467
2pdwFIDAldose reductase1.1.1.210.467
3lz6A0DCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.467
1v08NTZ4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic3.2.1.1820.466
1zknIBMcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.466
2fzbTOLAldose reductase1.1.1.210.466
2xujTZ5Acetylcholinesterase3.1.1.70.466
4dbs0HVAldo-keto reductase family 1 member C3/0.466
1ndyFR3Adenosine deaminase3.5.4.40.465
2ourCMPcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.464
1h35R01Squalene--hopene cyclase4.2.1.1290.463
1lkeDOGBilin-binding protein/0.463
2v0mKLNCytochrome P450 3A4/0.463
1a4lDCFAdenosine deaminase3.5.4.40.461
1rxjBNIStreptavidin/0.461
2ouyCMPcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.461
1y2bDEEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.460
1y2e5DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.460
2iqdLPAAldose reductase1.1.1.210.460
2xuiTZ5Acetylcholinesterase3.1.1.70.460
3af4GCPPantothenate kinase2.7.1.330.460
3g493G4Corticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.460
4bbhYBNGlycylpeptide N-tetradecanoyltransferase/0.460
3e4vFMNUncharacterized protein/0.459
3zkyWT4Isopenicillin N synthase1.21.3.10.459
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.458
4c2z646Glycylpeptide N-tetradecanoyltransferase 1/0.458
4htx19FcGMP-dependent 3',5'-cyclic phosphodiesterase3.1.4.170.458
4kmzFOLFolate receptor beta/0.458
4lcw1VYMajor histocompatibility complex class I-related gene protein/0.458
1y2k7DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.457
2ea4F79Methionine aminopeptidase 2/0.457
2f3815MAldo-keto reductase family 1 member C3/0.457
2inzOHPAldose reductase1.1.1.210.457
3g4iD71cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.457
4u163C0Muscarinic acetylcholine receptor M3/0.457
3iakEV1cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.456
3uzzTES3-oxo-5-beta-steroid 4-dehydrogenase/0.456
3v35NTIAldose reductase1.1.1.210.456
4hf415HcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.456
1oynROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.455
2j9fTHV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial1.2.4.40.455
2j9fTHV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial1.2.4.40.455
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.455
3g72A6TRenin3.4.23.150.455
3jq8DX3Pteridine reductase, putative/0.455
3k4s0MOcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.455
4ajfF03cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.455
4ms1381Gamma-aminobutyric acid type B receptor subunit 1/0.455
2poqISDTrans-1,2-dihydrobenzene-1,2-diol dehydrogenase1.3.1.200.454
2qimZEAClass 10 plant pathogenesis-related protein/0.454
2zs9ADPPantothenate kinase2.7.1.330.454
4phlPILPhosphodiesterase/0.454
4uugPXGBranched-chain amino acid aminotransferase, putative/0.454
1kwcBPYBiphenyl-2,3-diol 1,2-dioxygenase1.13.11.390.453
2r2lPB9Protein farnesyltransferase subunit beta2.5.1.580.453
2xuqTZ4Acetylcholinesterase3.1.1.70.453
3r58NPSAldo-keto reductase family 1 member C3/0.453
4kw51W6Decaprenylphosphoryl-beta-D-ribose oxidase/0.453
2bjsACVIsopenicillin N synthase1.21.3.10.452
2rd2QSIGlutamine--tRNA ligase6.1.1.180.452
3af1GDPPantothenate kinase2.7.1.330.452
3hxeBD8Geranylgeranyl transferase type-2 subunit beta2.5.1.600.452
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.452
4pnrG18Tankyrase-22.4.2.300.452
2c1zKMPAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.451
2hxzH7JCathepsin S3.4.22.270.451
2vbpVB1Isopenicillin N synthase1.21.3.10.451
3uzxAOM3-oxo-5-beta-steroid 4-dehydrogenase/0.451
4ajm3A6cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.451
1o6qR17Squalene--hopene cyclase4.2.1.1290.450
2w3mFOLDihydrofolate reductase1.5.1.30.450
2xupTZ5Acetylcholinesterase3.1.1.70.450
2xvv9DNSerum albumin/0.450
3dylIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.450
4bfxZVXPantothenate kinase2.7.1.330.450
4lsjLSJGlucocorticoid receptor/0.450
4pnmNU1Tankyrase-22.4.2.300.450
3u2cSUZAldose reductase1.1.1.210.449
4bftZVTPantothenate kinase2.7.1.330.449
1efyBZCPoly [ADP-ribose] polymerase 12.4.2.300.448
1umcTDP2-oxoisovalerate dehydrogenase subunit alpha1.2.4.40.448
1umcTDP2-oxoisovalerate dehydrogenase subunit beta1.2.4.40.448
3zkuHCVIsopenicillin N synthase1.21.3.10.448
4araC56Acetylcholinesterase3.1.1.70.448
4drjRAPSerine/threonine-protein kinase mTOR2.7.11.10.448
4drjRAPPeptidyl-prolyl cis-trans isomerase FKBP45.2.1.80.448
4hfr14MCorticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.448
4xwtU5PRibonuclease J/0.448
2fm0M98cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.447
3af0GDPPantothenate kinase2.7.1.330.447
3p2vDOYAldose reductase1.1.1.210.447
3qppPFWcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.447
3r8hZOMAldo-keto reductase family 1 member C3/0.447
4ey7E20Acetylcholinesterase3.1.1.70.447
4stdBFSScytalone dehydratase4.2.1.940.447
1kyxCRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.446
1obnASVIsopenicillin N synthase1.21.3.10.446
1synF89Thymidylate synthase/0.446
1w6jR71Lanosterol synthase5.4.99.70.446
2ga2A19Methionine aminopeptidase 2/0.446
2hctNMNADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 13.2.2.60.446
2w6cBM4Acetylcholinesterase3.1.1.70.446
2yneYNEGlycylpeptide N-tetradecanoyltransferase/0.446
2zseACPPantothenate kinase2.7.1.330.446
3ocx2AMLipoprotein E/0.446
3ojgHL4Phosphotriesterase/0.446
4ea2RWZDehydrosqualene synthase/0.446
1blzACVIsopenicillin N synthase1.21.3.10.445
1dx6GNTAcetylcholinesterase3.1.1.70.445
1uhoVDNcGMP-specific 3',5'-cyclic phosphodiesterase/0.445
2tplHPPTyrosine phenol-lyase4.1.99.20.445
3q9bB3NAcetylpolyamine amidohydrolase/0.445
3qpnPFKcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.445
4dbuBT9Aldo-keto reductase family 1 member C3/0.445
1h22E10Acetylcholinesterase3.1.1.70.444
1q9mROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.444
2xi4AFTAcetylcholinesterase3.1.1.70.444
3r43ID8Aldo-keto reductase family 1 member C3/0.444
3uzxAOX3-oxo-5-beta-steroid 4-dehydrogenase/0.444
3zdnFADMonoamine oxidase N1.4.3.40.444
4gi2NAPCrotonyl-CoA carboxylase/reductase/0.444
4gts7TPGeranylgeranyl transferase type-2 subunit beta2.5.1.600.444
1el3I84Aldose reductase1.1.1.210.443
1xngDNDNH(3)-dependent NAD(+) synthetase6.3.1.50.443
2cekN8TAcetylcholinesterase3.1.1.70.443
2gywOBIAcetylcholinesterase3.1.1.70.443
4a3uFMNNADH:flavin oxidoreductase/NADH oxidase/0.443
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.443
4k4eK4ETankyrase-12.4.2.300.443
4lrhFOLFolate receptor alpha/0.443
4pabTHGDimethylglycine dehydrogenase, mitochondrial1.5.8.40.443
1esmCOAPantothenate kinase2.7.1.330.442
1fapRAPPeptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.442
1fapRAPSerine/threonine-protein kinase mTOR2.7.11.10.442
1xoqROFcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.442
2a57CRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.442
2fapRADPeptidyl-prolyl cis-trans isomerase FKBP1A5.2.1.80.442
2fapRADSerine/threonine-protein kinase mTOR2.7.11.10.442
3d3p20AcAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.442
3h3r14HCollagen type IV alpha-3-binding protein/0.442
3szfDCQSulfide-quinone reductase/0.442
4b13X25Glycylpeptide N-tetradecanoyltransferase/0.442
4bvhOCZNAD-dependent protein deacetylase sirtuin-3, mitochondrial3.5.10.442
4ey6GNTAcetylcholinesterase3.1.1.70.442
1t47NTD4-hydroxyphenylpyruvate dioxygenase1.13.11.270.441
1tfz8694-hydroxyphenylpyruvate dioxygenase1.13.11.270.441
1uwhBAXSerine/threonine-protein kinase B-raf2.7.11.10.441
1zz1SHHHistone deacetylase-like amidohydrolase3.5.10.441
2gpvOHTEstrogen-related receptor gamma/0.441
2xuhTZ4Acetylcholinesterase3.1.1.70.441
2y6fM9FIsopenicillin N synthase1.21.3.10.441
3dyqIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
3n3zIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.441
3pz3PZ3Geranylgeranyl transferase type-2 subunit beta2.5.1.600.441
4ajdF04cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.441
4fcb0T7cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.441
4i9i1DYTankyrase-12.4.2.300.441
4kebFOLDihydrofolate reductase1.5.1.30.441
4wevSUZAldo-keto reductase family 1 member B101.1.10.441
1i5rHYCEstradiol 17-beta-dehydrogenase 11.1.1.620.440
1ihiIU5Aldo-keto reductase family 1 member C2/0.440
1odcA8BAcetylcholinesterase3.1.1.70.440
1u65CP0Acetylcholinesterase3.1.1.70.440
1xomCIOcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
2aotSAHHistamine N-methyltransferase2.1.1.80.440
2qjpANJCytochrome b/0.440
2vqbNAPPutative flavin-containing monooxygenase/0.440
2wsa646Glycylpeptide N-tetradecanoyltransferase/0.440
3u8dU8DPhospholipase A2, membrane associated/0.440
4jq3ZOMAldo-keto reductase family 1 member C2/0.440
4lm4JPZcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.440
4psbGA3Cytokinin-specific binding protein/0.440
5fd8A5APutative carboxypeptidase yocD/0.440
3uonQNBMuscarinic acetylcholine receptor M2/0.440