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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
2pdwFIDAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2pdwFIDAldose reductase1.1.1.211.000
1pwmFIDAldose reductase1.1.1.210.758
2pdyFIDAldose reductase1.1.1.210.722
2inzOHPAldose reductase1.1.1.210.685
2fz8ZSTAldose reductase1.1.1.210.674
2iqdLPAAldose reductase1.1.1.210.670
2is72CLAldose reductase1.1.1.210.660
2pd9FIDAldose reductase1.1.1.210.660
2agtFIDAldose reductase1.1.1.210.647
3s3gTLTAldose reductase1.1.1.210.642
2f2kTGGAldose reductase1.1.1.210.640
3p2vDOYAldose reductase1.1.1.210.628
3v35NTIAldose reductase1.1.1.210.626
1ef3FIDAldose reductase1.1.1.210.615
2iki388Aldose reductase1.1.1.210.611
3u2cSUZAldose reductase1.1.1.210.606
2nvcITAAldose reductase1.1.1.210.605
2iq0NAPAldose reductase1.1.1.210.604
1z8962PAldose reductase1.1.1.210.590
4gabFIDAldo-keto reductase family 1 member B101.1.10.580
2ikj393Aldose reductase1.1.1.210.569
2pdj393Aldose reductase1.1.1.210.567
1ekoI84Aldose reductase1.1.1.210.566
1ah0SBIAldose reductase1.1.1.210.560
3ghrLDTAldose reductase1.1.1.210.558
3ghsLDTAldose reductase1.1.1.210.558
2pdkSBIAldose reductase1.1.1.210.556
2hv5ZSTAldose reductase1.1.1.210.555
2fzdTOLAldose reductase1.1.1.210.554
2pdfZSTAldose reductase1.1.1.210.554
1t40ID5Aldose reductase1.1.1.210.553
3m64393Aldose reductase1.1.1.210.551
1el3I84Aldose reductase1.1.1.210.550
2pdh47DAldose reductase1.1.1.210.550
5liu388Aldo-keto reductase family 1 member B101.1.10.548
2dv0ZSTAldose reductase1.1.1.210.546
2i16LDTAldose reductase1.1.1.210.543
3lqlLDTAldose reductase1.1.1.210.532
4ga8SBIAldo-keto reductase family 1 member B101.1.10.532
3g5eQ74Aldose reductase1.1.1.210.527
3ghuLDTAldose reductase1.1.1.210.518
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.514
3cv7C2UAlcohol dehydrogenase [NADP(+)]1.1.1.20.512
2pdu393Aldose reductase1.1.1.210.511
1t41ID5Aldose reductase1.1.1.210.510
2pdp393Aldose reductase1.1.1.210.509
4wevSUZAldo-keto reductase family 1 member B101.1.10.509
2fzbTOLAldose reductase1.1.1.210.505
2duzZSTAldose reductase1.1.1.210.504
1z3n3NAAldose reductase1.1.1.210.503
3mb9ZSTAldose reductase1.1.1.210.502
1us0LDTAldose reductase1.1.1.210.501
3m4h388Aldose reductase1.1.1.210.501
1ah4NAPAldose reductase1.1.1.210.500
2fz9ZSTAldose reductase1.1.1.210.500
4dbw511Aldo-keto reductase family 1 member C3/0.499
4gca2X9Aldose reductase1.1.1.210.498
2pdxZSTAldose reductase1.1.1.210.496
3lboLDTAldose reductase1.1.1.210.495
1pwlBFIAldose reductase1.1.1.210.489
3lenZSTAldose reductase1.1.1.210.489
2hvoZSTAldose reductase1.1.1.210.488
2xlpNAPPutative flavin-containing monooxygenase/0.488
2vrjNCWBeta-glucosidase A3.2.1.210.486
3h4gFIDAlcohol dehydrogenase [NADP(+)]1.1.1.20.486
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.485
2hejNDPAldo-keto reductase family 1 member C211.1.10.484
2pdn47DAldose reductase1.1.1.210.484
2pzn393Aldose reductase1.1.1.210.483
2yneYNEGlycylpeptide N-tetradecanoyltransferase/0.483
2ikhLITAldose reductase1.1.1.210.482
4bbhYBNGlycylpeptide N-tetradecanoyltransferase/0.482
1ah3TOLAldose reductase1.1.1.210.481
2pdc393Aldose reductase1.1.1.210.481
1ry0PG2Aldo-keto reductase family 1 member C3/0.480
1ieiZESAldose reductase1.1.1.210.479
1rxjBNIStreptavidin/0.478
3zv7NHGAcetylcholinesterase3.1.1.70.477
3ld5LDTAldose reductase1.1.1.210.476
1rkwPNTHTH-type transcriptional regulator QacR/0.475
2duxZSTAldose reductase1.1.1.210.475
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.474
4bfwZVWPantothenate kinase2.7.1.330.474
3u57DH8Raucaffricine-O-beta-D-glucosidase3.2.1.1250.473
2pdlTOLAldose reductase1.1.1.210.472
3r8hZOMAldo-keto reductase family 1 member C3/0.470
4fam0SZAldo-keto reductase family 1 member C3/0.470
1zq5E04Aldo-keto reductase family 1 member C3/0.469
4u95MIYMultidrug efflux pump subunit AcrB/0.469
2hzqSTRApolipoprotein D/0.468
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.468
1gpnHUBAcetylcholinesterase3.1.1.70.467
2qxwLDTAldose reductase1.1.1.210.467
3exfTPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.467
3exfTPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.467
2cbqTH2Neocarzinostatin/0.466
4yu153NAldose reductase1.1.1.210.466
1ni4TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.465
1ni4TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.465
2j3qTFLAcetylcholinesterase3.1.1.70.465
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.465
1t7o152Carnitine O-acetyltransferase2.3.1.70.464
3bxoUPPdTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose/0.464
4j7gTRHPCZA361.3/0.464
4kp61S1cAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.464
1kmsLIHDihydrofolate reductase1.5.1.30.463
2w3mFOLDihydrofolate reductase1.5.1.30.462
3ai0PNWBeta-glucosidase/0.462
4b144XBGlycylpeptide N-tetradecanoyltransferase/0.462
4g2wNI0cGMP-specific 3',5'-cyclic phosphodiesterase/0.462
1dlrMXADihydrofolate reductase1.5.1.30.461
2geuCOKPantothenate kinase2.7.1.330.461
4kebFOLDihydrofolate reductase1.5.1.30.461
2ipw2CLAldose reductase1.1.1.210.460
3t423T4Aldose reductase1.1.1.210.460
3zj6VM2Raucaffricine-O-beta-D-glucosidase3.2.1.1250.460
2qw8NAPEugenol synthase 11.1.1.3180.459
3buvNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.459
3lz5LDTAldose reductase1.1.1.210.459
3hxcBD6Geranylgeranyl transferase type-2 subunit beta2.5.1.600.458
3uzxAOM3-oxo-5-beta-steroid 4-dehydrogenase/0.458
3af1GDPPantothenate kinase2.7.1.330.457
3u5ySCGRaucaffricine-O-beta-D-glucosidase3.2.1.1250.457
4eqrCOACoenzyme A disulfide reductase/0.457
1e66HUXAcetylcholinesterase3.1.1.70.456
1isgAGSADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 23.2.2.60.456
1ry8RUTAldo-keto reductase family 1 member C3/0.456
2bjsACVIsopenicillin N synthase1.21.3.10.456
2i17LDTAldose reductase1.1.1.210.456
2jl1NAPTriphenylmethane reductase/0.456
3nn6HNK6-hydroxy-L-nicotine oxidase/0.456
4kn104JFolate receptor beta/0.456
1hfrMOTDihydrofolate reductase1.5.1.30.455
1s2cFLFAldo-keto reductase family 1 member C3/0.455
1ut6A8NAcetylcholinesterase3.1.1.70.455
2f3815MAldo-keto reductase family 1 member C3/0.455
2fzjDH3Dihydrofolate reductase1.5.1.30.455
2gs9SAHUncharacterized protein/0.455
3ugrIMNAldo-keto reductase family 1 member C3/0.455
1ihiIU5Aldo-keto reductase family 1 member C2/0.454
1u65CP0Acetylcholinesterase3.1.1.70.454
1w76GNTAcetylcholinesterase3.1.1.70.454
2xupTZ5Acetylcholinesterase3.1.1.70.454
3gyf51PDihydrofolate reductase1.5.1.30.454
1tbbROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.453
1u08PLPMethionine aminotransferase/0.453
2vi5Y196,7-dimethyl-8-ribityllumazine synthase2.5.1.780.453
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.453
2pdq47DAldose reductase1.1.1.210.452
2zs9ADPPantothenate kinase2.7.1.330.452
3fx4FX4Alcohol dehydrogenase [NADP(+)]1.1.1.20.452
3nubUD0UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase2.6.1.980.452
4a33PS8Glycylpeptide N-tetradecanoyltransferase/0.452
4h7c10HAldo-keto reductase family 1 member C3/0.452
4m6kFOLDihydrofolate reductase1.5.1.30.452
1uhoVDNcGMP-specific 3',5'-cyclic phosphodiesterase/0.451
3aivHBO4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic3.2.1.1820.451
3l3rOAGDihydrofolate reductase1.5.1.30.451
4c2z646Glycylpeptide N-tetradecanoyltransferase 1/0.451
4lm4JPZcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.451
5a4vQUEGlutathione S-transferase F22.5.1.180.451
2ouyCMPcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A3.1.4.170.450
2po3T4K4-dehydrase/0.450
2vq7NAPPutative flavin-containing monooxygenase/0.450
2z52H23Geranylgeranyl pyrophosphate synthase/0.450
3caqNDP3-oxo-5-beta-steroid 4-dehydrogenase/0.450
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.450
4j7hTRHPCZA361.3/0.450
1zuaTOLAldo-keto reductase family 1 member B101.1.10.449
2h7jH7JCathepsin S3.4.22.270.449
2wsa646Glycylpeptide N-tetradecanoyltransferase/0.449
2zu9GDPMannosyl-3-phosphoglycerate synthase2.4.1.2170.449
4b65NDPL-ornithine N(5)-monooxygenase/0.449
4jq3ZOMAldo-keto reductase family 1 member C2/0.449
4jtrIZPAldo-keto reductase family 1 member C2/0.449
5cxv0HKMuscarinic acetylcholine receptor M1/0.449
1mvtDTMDihydrofolate reductase1.5.1.30.448
4fal0T0Aldo-keto reductase family 1 member C3/0.448
1u70MTXDihydrofolate reductase1.5.1.30.447
1x2eATXProline iminopeptidase3.4.11.50.447
2jgsBTNAvidin/0.447
2xi4AFTAcetylcholinesterase3.1.1.70.447
3e4vFMNUncharacterized protein/0.447
3mauPLRPutative sphingosine-1-phosphate lyase/0.447
3n0hTOPDihydrofolate reductase1.5.1.30.447
3nxrD2DDihydrofolate reductase1.5.1.30.447
4a322CDGlycylpeptide N-tetradecanoyltransferase/0.447
4b7zQ4QAcetylcholinesterase3.1.1.70.447
4lcw1VYMajor histocompatibility complex class I-related gene protein/0.447
1votHUPAcetylcholinesterase3.1.1.70.446
3zo7K6HMuconolactone Delta-isomerase/0.446
2ckmAA7Acetylcholinesterase3.1.1.70.445
2pd5ZSTAldose reductase1.1.1.210.445
3hxeBD8Geranylgeranyl transferase type-2 subunit beta2.5.1.600.445
4dbuBT9Aldo-keto reductase family 1 member C3/0.445
4tvj09LPoly [ADP-ribose] polymerase 22.4.2.300.445
2nvdITBAldose reductase1.1.1.210.444
3r43ID8Aldo-keto reductase family 1 member C3/0.444
4n3l2FNProthrombin3.4.21.50.444
1zgcA2EAcetylcholinesterase3.1.1.70.443
2e8uIPEGeranylgeranyl pyrophosphate synthase/0.443
2gesCOKPantothenate kinase2.7.1.330.443
2ha6SCKAcetylcholinesterase3.1.1.70.443
2vt4P32Beta-1 adrenergic receptor/0.443
4a16H34Acetylcholinesterase3.1.1.70.443
4g2yNI5cGMP-specific 3',5'-cyclic phosphodiesterase/0.443
4kfjFOLDihydrofolate reductase1.5.1.30.443
2a59LMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.442
3pzcGAPAmino acid--[acyl-carrier-protein] ligase 16.2.1.n20.442
3tvxPNXcAMP-specific 3',5'-cyclic phosphodiesterase 4A3.1.4.530.442
4ey7E20Acetylcholinesterase3.1.1.70.442
1udtVIAcGMP-specific 3',5'-cyclic phosphodiesterase/0.441
1w6rGNTAcetylcholinesterase3.1.1.70.441
2p5nNDPAldo-keto reductase family 1 member C211.1.10.441
2xltNA0Putative flavin-containing monooxygenase/0.441
2xuiTZ5Acetylcholinesterase3.1.1.70.441
4jpg1OXPyruvate kinase PKM2.7.1.400.441
4yfy0FXVioF/0.441
5jqhCAUBeta-2 adrenergic receptor/0.441
1d3dBZTProthrombin3.4.21.50.440
1ohjCOPDihydrofolate reductase1.5.1.30.440
1x2bSTXProline iminopeptidase3.4.11.50.440
2j7dGI1Beta-glucosidase A3.2.1.210.440
2zevIPEGeranylgeranyl pyrophosphate synthase/0.440
3e33ED7Protein farnesyltransferase subunit beta2.5.1.580.440
3zj7C1KStrictosidine-O-beta-D-glucosidase3.2.1.1050.440