sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 2duz | ZST | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 1.000 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.792 | |
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.736 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.715 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.710 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.701 | |
| 3ght | LDT | Aldose reductase | 1.1.1.21 | 0.700 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.683 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.683 | |
| 2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.680 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.678 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.671 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.663 | |
| 3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.656 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.642 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.642 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.641 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.639 | |
| 2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.638 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.638 | |
| 3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.637 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.634 | |
| 2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.633 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.631 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.620 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.619 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.615 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.614 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.613 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.608 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.605 | |
| 2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.604 | |
| 2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.601 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.600 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.598 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.592 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.587 | |
| 1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.584 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.583 | |
| 3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.581 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.571 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.566 | |
| 2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.563 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.562 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.560 | |
| 2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.556 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.553 | |
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.545 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.544 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.542 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.539 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.535 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.530 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.525 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.510 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.508 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.493 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.481 | |
| 3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.481 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.479 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.479 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.479 | |
| 2bf7 | HBI | Pteridine reductase 1 | 1.5.1.33 | 0.471 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.471 | |
| 1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.469 | |
| 4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.469 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.468 | |
| 2r2l | PB9 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.468 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.468 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.466 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.466 | |
| 2v0m | KLN | Cytochrome P450 3A4 | / | 0.466 | |
| 3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.466 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.465 | |
| 2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.465 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.465 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.464 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.464 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.463 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.462 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.462 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.462 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.462 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.461 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.460 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
| 3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.460 | |
| 3ksq | Z96 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.460 | |
| 3wav | DWV | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | 3.1.4.39 | 0.460 | |
| 4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.460 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.459 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.459 | |
| 1o1s | 1NH | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.457 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.457 | |
| 2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.457 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
| 2bfm | TOP | Pteridine reductase 1 | 1.5.1.33 | 0.456 | |
| 4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.455 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.455 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.455 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.454 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 3e33 | ED7 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.454 | |
| 4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.454 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.454 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.453 | |
| 3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 3two | NDP | Mannitol dehydrogenase | / | 0.453 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.453 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 4fl0 | PLP | Aminotransferase ALD1, chloroplastic | 2.6.1 | 0.450 | |
| 4std | BFS | Scytalone dehydratase | 4.2.1.94 | 0.450 | |
| 3ny9 | JSZ | Beta-2 adrenergic receptor | / | 0.450 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
| 2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.449 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.448 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 1sa5 | BMV | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.448 | |
| 2cbq | TH2 | Neocarzinostatin | / | 0.448 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.448 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.447 | |
| 3d3p | 20A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.447 | |
| 4kxj | P34 | Nucleoprotein | / | 0.447 | |
| 4phl | PIL | Phosphodiesterase | / | 0.447 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 2a3b | CFF | Endochitinase B1 | 3.2.1.14 | 0.446 | |
| 2ckm | AA7 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 4b65 | NDP | L-ornithine N(5)-monooxygenase | / | 0.446 | |
| 1m2x | MCO | Metallo-beta-lactamase type 2 | / | 0.445 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 4pab | THG | Dimethylglycine dehydrogenase, mitochondrial | 1.5.8.4 | 0.445 | |
| 1ah4 | NAP | Aldose reductase | 1.1.1.21 | 0.444 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.444 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 2oaz | I96 | Methionine aminopeptidase 2 | / | 0.444 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3af0 | GDP | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.444 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.443 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.443 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 4kmz | FOL | Folate receptor beta | / | 0.443 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 1jdz | FMB | Purine nucleoside phosphorylase | / | 0.442 | |
| 1t47 | NTD | 4-hydroxyphenylpyruvate dioxygenase | 1.13.11.27 | 0.442 | |
| 1yw7 | A41 | Methionine aminopeptidase 2 | / | 0.442 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.442 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 2ohj | FMN | Type A flavoprotein FprA | 1 | 0.442 | |
| 3c72 | CX1 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.442 | |
| 3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 4kn1 | 04J | Folate receptor beta | / | 0.442 | |
| 8cat | NDP | Catalase | 1.11.1.6 | 0.442 | |
| 1ld8 | U49 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.441 | |
| 1r58 | AO5 | Methionine aminopeptidase 2 | / | 0.441 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.441 | |
| 4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.441 | |
| 4kn2 | LYA | Folate receptor beta | / | 0.441 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.440 | |
| 3q7f | ED2 | Uncharacterized protein | / | 0.440 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 5fd8 | A5A | Putative carboxypeptidase yocD | / | 0.440 | |
| 3sn6 | P0G | Beta-2 adrenergic receptor | / | 0.440 |