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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
2i17LDTAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2i17LDTAldose reductase1.1.1.211.000
3ghtLDTAldose reductase1.1.1.210.904
3ghsLDTAldose reductase1.1.1.210.856
3ld5LDTAldose reductase1.1.1.210.843
3ghuLDTAldose reductase1.1.1.210.831
3ghrLDTAldose reductase1.1.1.210.821
1us0LDTAldose reductase1.1.1.210.787
2qxwLDTAldose reductase1.1.1.210.780
2duxZSTAldose reductase1.1.1.210.764
2duzZSTAldose reductase1.1.1.210.720
2i16LDTAldose reductase1.1.1.210.713
2hvoZSTAldose reductase1.1.1.210.712
3g5eQ74Aldose reductase1.1.1.210.712
1z3n3NAAldose reductase1.1.1.210.689
2pzn393Aldose reductase1.1.1.210.683
3mb9ZSTAldose reductase1.1.1.210.672
2pdg47DAldose reductase1.1.1.210.670
4yu153NAldose reductase1.1.1.210.668
2iki388Aldose reductase1.1.1.210.658
1pwlBFIAldose reductase1.1.1.210.654
1t40ID5Aldose reductase1.1.1.210.652
2fz8ZSTAldose reductase1.1.1.210.644
4gca2X9Aldose reductase1.1.1.210.632
2pdh47DAldose reductase1.1.1.210.628
2pdlTOLAldose reductase1.1.1.210.628
3lboLDTAldose reductase1.1.1.210.627
2pdp393Aldose reductase1.1.1.210.625
1z8962PAldose reductase1.1.1.210.623
2pdu393Aldose reductase1.1.1.210.623
2hv5ZSTAldose reductase1.1.1.210.613
2pdfZSTAldose reductase1.1.1.210.613
3mc5393Aldose reductase1.1.1.210.612
3lqlLDTAldose reductase1.1.1.210.611
2pdn47DAldose reductase1.1.1.210.609
1frbZSTAldose reductase-related protein 2/0.608
2pdxZSTAldose reductase1.1.1.210.605
2pdbZSTAldose reductase1.1.1.210.604
2pd5ZSTAldose reductase1.1.1.210.600
3t423T4Aldose reductase1.1.1.210.599
3lenZSTAldose reductase1.1.1.210.597
1t41ID5Aldose reductase1.1.1.210.594
3m64393Aldose reductase1.1.1.210.594
2pdc393Aldose reductase1.1.1.210.593
3m0iZSTAldose reductase1.1.1.210.593
2pdj393Aldose reductase1.1.1.210.590
2dv0ZSTAldose reductase1.1.1.210.588
2pdq47DAldose reductase1.1.1.210.587
3lz5LDTAldose reductase1.1.1.210.584
3m4h388Aldose reductase1.1.1.210.583
1ieiZESAldose reductase1.1.1.210.575
1ah3TOLAldose reductase1.1.1.210.566
1zuaTOLAldo-keto reductase family 1 member B101.1.10.560
2inzOHPAldose reductase1.1.1.210.552
2ikhLITAldose reductase1.1.1.210.551
2pdyFIDAldose reductase1.1.1.210.543
2ikj393Aldose reductase1.1.1.210.541
2iqdLPAAldose reductase1.1.1.210.541
2fzdTOLAldose reductase1.1.1.210.540
2fzbTOLAldose reductase1.1.1.210.532
2fz9ZSTAldose reductase1.1.1.210.524
1el3I84Aldose reductase1.1.1.210.518
2f2kTGGAldose reductase1.1.1.210.515
1yw7A41Methionine aminopeptidase 2/0.502
2agtFIDAldose reductase1.1.1.210.501
4ga8SBIAldo-keto reductase family 1 member B101.1.10.498
1y2d4DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.488
3aivHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic3.2.1.1820.486
4u163C0Muscarinic acetylcholine receptor M3/0.486
4kmzFOLFolate receptor beta/0.485
3uzzTES3-oxo-5-beta-steroid 4-dehydrogenase/0.483
4kn2LYAFolate receptor beta/0.482
4dbw511Aldo-keto reductase family 1 member C3/0.481
4jt81NRNAD-dependent protein deacetylase sirtuin-3, mitochondrial3.5.10.481
5cxv0HKMuscarinic acetylcholine receptor M1/0.481
2cbqTH2Neocarzinostatin/0.480
4d2dALA_ALA_ALADi-or tripeptide:H+ symporter/0.479
5liu388Aldo-keto reductase family 1 member B101.1.10.478
2yneYNEGlycylpeptide N-tetradecanoyltransferase/0.475
3aiqHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic3.2.1.1820.475
3r58NPSAldo-keto reductase family 1 member C3/0.475
3zv7NHGAcetylcholinesterase3.1.1.70.475
2ipiAKYAclacinomycin-N/aclacinomycin-A oxidase/0.474
3mjrAC2Deoxycytidine kinase2.7.1.740.474
1h35R01Squalene--hopene cyclase4.2.1.1290.472
3v35NTIAldose reductase1.1.1.210.472
2cekN8TAcetylcholinesterase3.1.1.70.471
3uzxAOX3-oxo-5-beta-steroid 4-dehydrogenase/0.471
4ea2RWZDehydrosqualene synthase/0.470
2ga2A19Methionine aminopeptidase 2/0.469
3c1oNAPEugenol synthase/0.469
3g493G4Corticosteroid 11-beta-dehydrogenase isozyme 11.1.1.1460.469
3e4vFMNUncharacterized protein/0.467
3u2cSUZAldose reductase1.1.1.210.467
4lsaBLDProtein BRASSINOSTEROID INSENSITIVE 12.7.10.10.467
1e66HUXAcetylcholinesterase3.1.1.70.466
2xupTZ5Acetylcholinesterase3.1.1.70.466
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.466
3rj0BLDProtein BRASSINOSTEROID INSENSITIVE 12.7.10.10.465
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.465
4bbhYBNGlycylpeptide N-tetradecanoyltransferase/0.465
4bftZVTPantothenate kinase2.7.1.330.465
4mt92D6Tankyrase-12.4.2.300.465
1v08NTZ4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic3.2.1.1820.464
3f3y4OABile salt sulfotransferase2.8.2.140.464
4stdBFSScytalone dehydratase4.2.1.940.464
1ry0PG2Aldo-keto reductase family 1 member C3/0.463
2xuhTZ4Acetylcholinesterase3.1.1.70.463
4drjRAPSerine/threonine-protein kinase mTOR2.7.11.10.463
4drjRAPPeptidyl-prolyl cis-trans isomerase FKBP45.2.1.80.463
4u95MIYMultidrug efflux pump subunit AcrB/0.463
4wevSUZAldo-keto reductase family 1 member B101.1.10.463
1lkeDOGBilin-binding protein/0.462
1q9mROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.462
1xonPILcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.462
1zgbA1EAcetylcholinesterase3.1.1.70.462
2nvcITAAldose reductase1.1.1.210.462
3ghvGHCDihydrofolate reductase1.5.1.30.462
4c2z646Glycylpeptide N-tetradecanoyltransferase 1/0.462
4lrhFOLFolate receptor alpha/0.462
2xuiTZ5Acetylcholinesterase3.1.1.70.461
3w2eFADNADH-cytochrome b5 reductase 31.6.2.20.461
4dz5NAPAldo-keto reductase family 1 member C3/0.461
2f3815MAldo-keto reductase family 1 member C3/0.460
3cgtBCDCyclomaltodextrin glucanotransferase2.4.1.190.460
3jq8DX3Pteridine reductase, putative/0.460
1y2c3DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.459
2xujTZ5Acetylcholinesterase3.1.1.70.459
4i5xFLFAldo-keto reductase family 1 member B101.1.10.459
4lcw1VYMajor histocompatibility complex class I-related gene protein/0.459
5stdUNNScytalone dehydratase4.2.1.940.459
3uonQNBMuscarinic acetylcholine receptor M2/0.459
1oynROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.458
1x8lOXRRetinol dehydratase/0.458
3c3xNAPEugenol synthase 11.1.1.3180.458
4eilFOLBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.458
4es5MGTPolymerase basic protein 2/0.458
1ihiIU5Aldo-keto reductase family 1 member C2/0.457
3hxeBD8Geranylgeranyl transferase type-2 subunit beta2.5.1.600.457
3n3zIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.457
4li71XPTankyrase-12.4.2.300.457
4mrxCZHObelin/0.457
1u70MTXDihydrofolate reductase1.5.1.30.456
1zknIBMcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.456
2wsa646Glycylpeptide N-tetradecanoyltransferase/0.456
3p9tTCLRepressor/0.456
3r8hZOMAldo-keto reductase family 1 member C3/0.456
3wavDWVEctonucleotide pyrophosphatase/phosphodiesterase family member 23.1.4.390.456
3zkuHCVIsopenicillin N synthase1.21.3.10.456
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.456
4g2l0WLHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.456
4kn104JFolate receptor beta/0.456
1s9dAFBCytohesin-2/0.455
1s9dAFBADP-ribosylation factor 1/0.455
1zgcA2EAcetylcholinesterase3.1.1.70.455
3af4GCPPantothenate kinase2.7.1.330.455
1gt5BZQOdorant-binding protein/0.454
1q23FUAChloramphenicol acetyltransferase2.3.1.280.454
1q5mNDPProstaglandin-E(2) 9-reductase1.1.1.1890.454
2qjpANJCytochrome b/0.454
2v0mKLNCytochrome P450 3A4/0.454
3g4kROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.454
3zecANPAdenosine monophosphate-protein transferase SoFic2.7.7.n10.454
4kn0MTXFolate receptor beta/0.454
4daj0HKMuscarinic acetylcholine receptor M3/0.454
1a4lDCFAdenosine deaminase3.5.4.40.453
1e1fPSG4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic3.2.1.1820.453
1e2lTMCThymidine kinase/0.453
1efyBZCPoly [ADP-ribose] polymerase 12.4.2.300.453
1lnmDTXBilin-binding protein/0.453
1pj6FOLDimethylglycine oxidase1.5.3.100.453
2ea4F79Methionine aminopeptidase 2/0.453
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.453
3af1GDPPantothenate kinase2.7.1.330.453
3g1rFIT3-oxo-5-beta-steroid 4-dehydrogenase/0.453
3uzxAOM3-oxo-5-beta-steroid 4-dehydrogenase/0.453
1sg0STLRibosyldihydronicotinamide dehydrogenase [quinone]/0.452
1xf0ASDAldo-keto reductase family 1 member C3/0.452
2qx7NAPEugenol synthase 11.1.1.3180.452
2vqqTFGHistone deacetylase 43.5.1.980.452
3r6iJMSAldo-keto reductase family 1 member C3/0.452
1kqgHQOFormate dehydrogenase, nitrate-inducible, cytochrome b556(Fdn) subunit/0.451
1s36CEIObelin/0.451
1u08PLPMethionine aminotransferase/0.451
2ckmAA7Acetylcholinesterase3.1.1.70.451
4at4T6EBDNF/NT-3 growth factors receptor2.7.10.10.451
4pnmNU1Tankyrase-22.4.2.300.451
1p91SAM23S rRNA (guanine(745)-N(1))-methyltransferase/0.450
2cmfF11Acetylcholinesterase3.1.1.70.450
3ituIBMcGMP-dependent 3',5'-cyclic phosphodiesterase3.1.4.170.450
4ajdF04cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.450
4ey7E20Acetylcholinesterase3.1.1.70.450
4li61XOTankyrase-12.4.2.300.450
4xo7ASDAldo-keto reductase family 1 member C2/0.450
1vkgCRIHistone deacetylase 83.5.1.980.449
2weyEV1cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.449
2zs8ADPPantothenate kinase2.7.1.330.449
3af3GCPPantothenate kinase2.7.1.330.449
3h7rNAPAldo-keto reductase family 4 member C8/0.449
4hf415HcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.449
4jsr1NQNAD-dependent protein deacetylase sirtuin-3, mitochondrial3.5.10.449
2pdmZSTAldose reductase1.1.1.210.448
2xi4AFTAcetylcholinesterase3.1.1.70.448
2zsbADPPantothenate kinase2.7.1.330.448
3cotSTR3-oxo-5-beta-steroid 4-dehydrogenase/0.448
3r43ID8Aldo-keto reductase family 1 member C3/0.448
4gi2NAPCrotonyl-CoA carboxylase/reductase/0.448
1mlzPLPAdenosylmethionine-8-amino-7-oxononanoate aminotransferase2.6.1.620.447
1s2cFLFAldo-keto reductase family 1 member C3/0.447
2xtbKRMAdenosine kinase, putative/0.447
3dylIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.447
4bb2STRCorticosteroid-binding globulin/0.447
4htx19FcGMP-dependent 3',5'-cyclic phosphodiesterase3.1.4.170.447
4paaTHGDimethylglycine dehydrogenase, mitochondrial1.5.8.40.447
1y2k7DEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.446
3hl0NADMaleylacetate reductase/0.446
3jsxCC2NAD(P)H dehydrogenase [quinone] 11.6.5.20.446
3sl8JN7cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.446
4mm9FVXNa(+):neurotransmitter symporter (Snf family)/0.446
4x7zZM3Mycinamicin III 3''-O-methyltransferase2.1.1.2370.446
1qv0CZHObelin/0.445
1yw9A84Methionine aminopeptidase 2/0.445
2c1zKMPAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.445
2jf0HBPAcetylcholinesterase3.1.1.70.445
2oazI96Methionine aminopeptidase 2/0.445
2pevNDPAldose reductase1.1.1.210.445
2psjCEIRenilla-luciferin 2-monooxygenase1.13.12.50.445
2zseACPPantothenate kinase2.7.1.330.445
3dylPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.445
3dyqPCGHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.445
3h3r14HCollagen type IV alpha-3-binding protein/0.445
3k4s0MOcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.445
3uzzASD3-oxo-5-beta-steroid 4-dehydrogenase/0.445
4b144XBGlycylpeptide N-tetradecanoyltransferase/0.445
4bfvZVVPantothenate kinase2.7.1.330.445
1hfrMOTDihydrofolate reductase1.5.1.30.444
1po7TZDBenzoylformate decarboxylase4.1.1.70.444
3bxoUPPdTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose/0.444
4a1oAMZBifunctional purine biosynthesis protein PurH2.1.2.30.444
4a2zVIQGlycylpeptide N-tetradecanoyltransferase/0.444
4m6l21VDihydrofolate reductase1.5.1.30.444
1odcA8BAcetylcholinesterase3.1.1.70.443
2d06ESTSulfotransferase 1A12.8.2.10.443
2xjeU5PCytosolic purine 5'-nucleotidase3.1.3.50.443
3d3p20AcAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.443
3dyqIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.443
3g4iD71cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.443
3u57DH8Raucaffricine-O-beta-D-glucosidase3.2.1.1250.443
3ugrIMNAldo-keto reductase family 1 member C3/0.443
4bfxZVXPantothenate kinase2.7.1.330.443
4gh6LUOHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.443
4kp61S1cAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.443
4mm729JNa(+):neurotransmitter symporter (Snf family)/0.443
4mvh2F5cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.443
4xba5GPAprataxin-like protein30.443
5fd8A5APutative carboxypeptidase yocD/0.443
1ndyFR3Adenosine deaminase3.5.4.40.442
1ohkCOPDihydrofolate reductase1.5.1.30.442
1ry8RUTAldo-keto reductase family 1 member C3/0.442
1xi2CB1Ribosyldihydronicotinamide dehydrogenase [quinone]/0.442
1y60H4M5,6,7,8-tetrahydromethanopterin hydro-lyase4.2.1.1470.442
1zq5E04Aldo-keto reductase family 1 member C3/0.442
3t0kDCQSulfide-quinone reductase/0.442
3tfuPL8Adenosylmethionine-8-amino-7-oxononanoate aminotransferase2.6.1.620.442
4bvhOCZNAD-dependent protein deacetylase sirtuin-3, mitochondrial3.5.10.442
4hmn16JAldo-keto reductase family 1 member C3/0.442
4xwtU5PRibonuclease J/0.442
5c1gGDUHisto-blood group ABO system transferase/0.442
1xorZARcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.441
2qimZEAClass 10 plant pathogenesis-related protein/0.441
2vt4P32Beta-1 adrenergic receptor/0.441
2xuqTZ4Acetylcholinesterase3.1.1.70.441
3o73O73Ribosyldihydronicotinamide dehydrogenase [quinone]/0.441
3tvxPNXcAMP-specific 3',5'-cyclic phosphodiesterase 4A3.1.4.530.441
4jq2SUZAldo-keto reductase family 1 member C2/0.441
4jvnYUGEstrogen sulfotransferase2.8.2.40.441
4xo7NAPAldo-keto reductase family 1 member C2/0.441
1eveE20Acetylcholinesterase3.1.1.70.440
1w6jR71Lanosterol synthase5.4.99.70.440
1zklIBMHigh affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A3.1.4.530.440
2aot2PMHistamine N-methyltransferase2.1.1.80.440
2getCOKPantothenate kinase2.7.1.330.440
2lbaCHOFatty acid binding protein 6/0.440
2o8h227cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.440
2pdwFIDAldose reductase1.1.1.210.440
3iakEV1cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
3qppPFWcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.440
3szfDCQSulfide-quinone reductase/0.440
4ky404JBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.440
4qfxDGTDeoxynucleoside triphosphate triphosphohydrolase SAMHD13.1.50.440
4xbfFADLysine-specific histone demethylase 1A10.440