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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
2pd9FIDAldose reductase1.1.1.21

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2pd9FIDAldose reductase1.1.1.211.000
2pdkSBIAldose reductase1.1.1.210.679
2is72CLAldose reductase1.1.1.210.671
2agtFIDAldose reductase1.1.1.210.666
2pdwFIDAldose reductase1.1.1.210.644
1ef3FIDAldose reductase1.1.1.210.623
1pwmFIDAldose reductase1.1.1.210.615
3s3gTLTAldose reductase1.1.1.210.614
2iqdLPAAldose reductase1.1.1.210.606
1ekoI84Aldose reductase1.1.1.210.599
3p2vDOYAldose reductase1.1.1.210.595
4gabFIDAldo-keto reductase family 1 member B101.1.10.590
2f2kTGGAldose reductase1.1.1.210.589
3u2cSUZAldose reductase1.1.1.210.587
2pdyFIDAldose reductase1.1.1.210.584
1ah0SBIAldose reductase1.1.1.210.581
2nvcITAAldose reductase1.1.1.210.575
1x96NAPAldose reductase1.1.1.210.574
2hvnZSTAldose reductase1.1.1.210.573
1zuaTOLAldo-keto reductase family 1 member B101.1.10.572
2pdmZSTAldose reductase1.1.1.210.567
2pdfZSTAldose reductase1.1.1.210.557
3v35NTIAldose reductase1.1.1.210.551
2pdj393Aldose reductase1.1.1.210.543
2pdiZSTAldose reductase1.1.1.210.541
5liu388Aldo-keto reductase family 1 member B101.1.10.538
2inzOHPAldose reductase1.1.1.210.533
2acuNAPAldose reductase1.1.1.210.519
2fzdTOLAldose reductase1.1.1.210.514
1el3I84Aldose reductase1.1.1.210.509
1az1ALRAldose reductase1.1.1.210.507
3m4h388Aldose reductase1.1.1.210.506
4i9z5BAcGMP-specific 3',5'-cyclic phosphodiesterase/0.506
2fzbTOLAldose reductase1.1.1.210.503
3lz5LDTAldose reductase1.1.1.210.494
1uhoVDNcGMP-specific 3',5'-cyclic phosphodiesterase/0.493
4u95MIYMultidrug efflux pump subunit AcrB/0.493
1ry0PG2Aldo-keto reductase family 1 member C3/0.489
3h4gFIDAlcohol dehydrogenase [NADP(+)]1.1.1.20.484
2vrjNCWBeta-glucosidase A3.2.1.210.482
2pdlTOLAldose reductase1.1.1.210.479
4pnmNU1Tankyrase-22.4.2.300.477
1gt5BZQOdorant-binding protein/0.475
3uweVJJAldo-keto reductase family 1 member C3/0.473
4oew5IOcGMP-specific 3',5'-cyclic phosphodiesterase/0.473
4fam0SZAldo-keto reductase family 1 member C3/0.472
4pabTHGDimethylglycine dehydrogenase, mitochondrial1.5.8.40.471
3cv7C2UAlcohol dehydrogenase [NADP(+)]1.1.1.20.470
3dopNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.470
3zv7NHGAcetylcholinesterase3.1.1.70.470
4oex5EOcGMP-specific 3',5'-cyclic phosphodiesterase/0.470
1blzACVIsopenicillin N synthase1.21.3.10.467
2bjsACVIsopenicillin N synthase1.21.3.10.467
3w5eNVWcAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.467
4g2yNI5cGMP-specific 3',5'-cyclic phosphodiesterase/0.466
4gts7TPGeranylgeranyl transferase type-2 subunit beta2.5.1.600.466
4kn104JFolate receptor beta/0.466
2pdbZSTAldose reductase1.1.1.210.465
3uzzTES3-oxo-5-beta-steroid 4-dehydrogenase/0.465
1zgbA1EAcetylcholinesterase3.1.1.70.464
1t40ID5Aldose reductase1.1.1.210.463
1us0LDTAldose reductase1.1.1.210.463
2pd5ZSTAldose reductase1.1.1.210.463
3mb9ZSTAldose reductase1.1.1.210.463
3pz3PZ3Geranylgeranyl transferase type-2 subunit beta2.5.1.600.463
1isgAGSADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 23.2.2.60.462
1kmsLIHDihydrofolate reductase1.5.1.30.462
1ut6A8NAcetylcholinesterase3.1.1.70.462
2hzqSTRApolipoprotein D/0.462
2ipw2CLAldose reductase1.1.1.210.462
3lboLDTAldose reductase1.1.1.210.462
4dbs0HVAldo-keto reductase family 1 member C3/0.462
1dlrMXADihydrofolate reductase1.5.1.30.461
1pj6FOLDimethylglycine oxidase1.5.3.100.461
3r7mSUZAldo-keto reductase family 1 member C3/0.461
1efyBZCPoly [ADP-ribose] polymerase 12.4.2.300.460
1z3n3NAAldose reductase1.1.1.210.460
3exfTPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.460
3exfTPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.460
4blcNDPCatalase1.11.1.60.460
2wo7ASVIsopenicillin N synthase1.21.3.10.459
2pdxZSTAldose reductase1.1.1.210.458
3bv7NAP3-oxo-5-beta-steroid 4-dehydrogenase/0.458
3u5ySCGRaucaffricine-O-beta-D-glucosidase3.2.1.1250.458
4eywL0RCarnitine O-palmitoyltransferase 2, mitochondrial2.3.1.210.458
1kyyINI6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.457
1xf0ASDAldo-keto reductase family 1 member C3/0.457
2dv0ZSTAldose reductase1.1.1.210.457
3ou2SAHSAM-dependent methyltransferase/0.457
1nquRDL6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.456
4a959MTGlycylpeptide N-tetradecanoyltransferase/0.456
3g1rNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.455
3vf60H6Glucokinase2.7.1.20.455
1dgbNDPCatalase1.11.1.60.454
2xi4AFTAcetylcholinesterase3.1.1.70.454
2y6fM9FIsopenicillin N synthase1.21.3.10.454
3dylIBMHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A/0.454
4ddrMMVDihydrofolate reductase1.5.1.30.454
2fb8215Serine/threonine-protein kinase B-raf2.7.11.10.453
2h7jH7JCathepsin S3.4.22.270.453
2xuiTZ5Acetylcholinesterase3.1.1.70.453
3tkyN7I(Iso)eugenol O-methyltransferase2.1.1.1460.453
3uzwNAP3-oxo-5-beta-steroid 4-dehydrogenase/0.453
1z8962PAldose reductase1.1.1.210.452
3f3y4OABile salt sulfotransferase2.8.2.140.452
3mc5393Aldose reductase1.1.1.210.452
2a57CRM6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.451
2xuoTZ4Acetylcholinesterase3.1.1.70.451
3m0iZSTAldose reductase1.1.1.210.451
3nxtD2EDihydrofolate reductase1.5.1.30.451
8catNDPCatalase1.11.1.60.451
1frbZSTAldose reductase-related protein 2/0.450
1ni4TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial1.2.4.10.450
1ni4TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial1.2.4.10.450
1nqvLMZ6,7-dimethyl-8-ribityllumazine synthase2.5.1.780.450
1upw444Oxysterols receptor LXR-beta/0.450
3u57DH8Raucaffricine-O-beta-D-glucosidase3.2.1.1250.450
4gca2X9Aldose reductase1.1.1.210.450
5dsyUHBPoly [ADP-ribose] polymerase 22.4.2.300.450
1rxjBNIStreptavidin/0.449
1s1rNAPAldo-keto reductase family 1 member C3/0.449
1sg0STLRibosyldihydronicotinamide dehydrogenase [quinone]/0.449
1zgcA2EAcetylcholinesterase3.1.1.70.449
3e6eDCSAlanine racemase/0.449
1pq944BOxysterols receptor LXR-beta/0.448
1tfz8694-hydroxyphenylpyruvate dioxygenase1.13.11.270.448
1zq5E04Aldo-keto reductase family 1 member C3/0.448
2fm5M99cAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.448
2pdc393Aldose reductase1.1.1.210.448
3dr7GPDGDP-perosamine synthase/0.448
3tvxPNXcAMP-specific 3',5'-cyclic phosphodiesterase 4A3.1.4.530.448
4eilFOLBifunctional dihydrofolate reductase-thymidylate synthase1.5.1.30.448
1dgfNDPCatalase1.11.1.60.447
1w6rGNTAcetylcholinesterase3.1.1.70.447
2hvoZSTAldose reductase1.1.1.210.447
2ipiAKYAclacinomycin-N/aclacinomycin-A oxidase/0.447
1ycgFMNNitric oxide reductase10.446
2duxZSTAldose reductase1.1.1.210.446
2w3mFOLDihydrofolate reductase1.5.1.30.446
3c3dFO12-phospho-L-lactate transferase/0.446
4dbuBT9Aldo-keto reductase family 1 member C3/0.446
4i5xFLFAldo-keto reductase family 1 member B101.1.10.446
4jtqNAPAldo-keto reductase family 1 member C2/0.446
4zzjCNANAD-dependent protein deacetylase sirtuin-13.5.10.446
1p8dCO1Oxysterols receptor LXR-beta/0.445
3g4kROLcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.445
4b13X25Glycylpeptide N-tetradecanoyltransferase/0.445
2vbpVB1Isopenicillin N synthase1.21.3.10.444
3hl0NADMaleylacetate reductase/0.444
4dbw511Aldo-keto reductase family 1 member C3/0.444
1t13INI6,7-dimethyl-8-ribityllumazine synthase 2/0.443
1udtVIAcGMP-specific 3',5'-cyclic phosphodiesterase/0.443
1votHUPAcetylcholinesterase3.1.1.70.443
2aclL05Oxysterols receptor LXR-alpha/0.443
2bfmTOPPteridine reductase 11.5.1.330.443
2c9zQUEAnthocyanidin 3-O-glucosyltransferase 22.4.1.1150.443
2f98NGVAklanonic acid methyl ester cyclase AcmA5.5.1.230.443
2f99AKVAklanonic acid methyl ester cyclase AcmA5.5.1.230.443
2h447CAcGMP-specific 3',5'-cyclic phosphodiesterase/0.443
2xviFADPutative flavin-containing monooxygenase/0.443
4b12C23Glycylpeptide N-tetradecanoyltransferase/0.443
1dggNDPCatalase1.11.1.60.442
1e66HUXAcetylcholinesterase3.1.1.70.442
1pwlBFIAldose reductase1.1.1.210.442
1u65CP0Acetylcholinesterase3.1.1.70.442
3ce0P34Poly [ADP-ribose] polymerase 32.4.2.300.442
4br0AU1Ectonucleoside triphosphate diphosphohydrolase 2/0.442
4m6kFOLDihydrofolate reductase1.5.1.30.442
1g60SAMModification methylase MboII2.1.1.720.441
1qoqIGPTryptophan synthase alpha chain/0.441
2w6cBM4Acetylcholinesterase3.1.1.70.441
2xltNA0Putative flavin-containing monooxygenase/0.441
3d3p20AcAMP-specific 3',5'-cyclic phosphodiesterase 4B3.1.4.530.441
3ghvGHCDihydrofolate reductase1.5.1.30.441
3h7uNAPNADPH-dependent aldo-keto reductase, chloroplastic/0.441
4bb2STRCorticosteroid-binding globulin/0.441
1w29TS16,7-dimethyl-8-ribityllumazine synthase2.5.1.780.440
1y2bDEEcAMP-specific 3',5'-cyclic phosphodiesterase 4D3.1.4.530.440
2cekN8TAcetylcholinesterase3.1.1.70.440
2f3815MAldo-keto reductase family 1 member C3/0.440
2g5w8PG12-oxophytodienoate reductase 31.3.1.420.440
2vi5Y196,7-dimethyl-8-ribityllumazine synthase2.5.1.780.440
2wsa646Glycylpeptide N-tetradecanoyltransferase/0.440
3hxeBD8Geranylgeranyl transferase type-2 subunit beta2.5.1.600.440
3iu9T07Methionine aminopeptidase 2/0.440
4a322CDGlycylpeptide N-tetradecanoyltransferase/0.440
4b117I1Glycylpeptide N-tetradecanoyltransferase/0.440
4kebFOLDihydrofolate reductase1.5.1.30.440
4pvdNDPNADPH-dependent methylglyoxal reductase GRE2/0.440
4uugPXGBranched-chain amino acid aminotransferase, putative/0.440
4wevSUZAldo-keto reductase family 1 member B101.1.10.440
4xwtU5PRibonuclease J/0.440