sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 1.000 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.776 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.689 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.669 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.665 | |
| 1eve | E20 | Acetylcholinesterase | 3.1.1.7 | 0.664 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.649 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.642 | |
| 1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.633 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.632 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.620 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.616 | |
| 4m0f | 1YK | Acetylcholinesterase | 3.1.1.7 | 0.616 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.605 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.603 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.602 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.602 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.599 | |
| 2ckm | AA7 | Acetylcholinesterase | 3.1.1.7 | 0.597 | |
| 2ha6 | SCK | Acetylcholinesterase | 3.1.1.7 | 0.595 | |
| 1w76 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.593 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.593 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.592 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.591 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.590 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.583 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.580 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.577 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.570 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.568 | |
| 2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.567 | |
| 2xuk | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.566 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.564 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.560 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.555 | |
| 2gyu | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.554 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.549 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.549 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.543 | |
| 2cmf | F11 | Acetylcholinesterase | 3.1.1.7 | 0.534 | |
| 2gyw | OBI | Acetylcholinesterase | 3.1.1.7 | 0.532 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.525 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.515 | |
| 2a0x | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.497 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.485 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.484 | |
| 1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.482 | |
| 2wu4 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.479 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.478 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.476 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.474 | |
| 4a16 | H34 | Acetylcholinesterase | 3.1.1.7 | 0.474 | |
| 1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.470 | |
| 2zsd | COA | Pantothenate kinase | 2.7.1.33 | 0.468 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.468 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.467 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.464 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.464 | |
| 3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.463 | |
| 4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.463 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.461 | |
| 2yy2 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.460 | |
| 4j4n | D44 | Peptidylprolyl isomerase | / | 0.459 | |
| 1h60 | STR | Pentaerythritol tetranitrate reductase | / | 0.458 | |
| 2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
| 1tco | FK5 | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.457 | |
| 1tco | FK5 | Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform | 3.1.3.16 | 0.457 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.457 | |
| 1jqd | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.456 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.456 | |
| 3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.455 | |
| 1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.454 | |
| 1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.454 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.454 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.454 | |
| 1rfg | GMP | Purine nucleoside phosphorylase | 2.4.2.1 | 0.453 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.453 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.453 | |
| 2xiq | 5AD | Methylmalonyl-CoA mutase, mitochondrial | / | 0.453 | |
| 4xbj | IN5 | Alanine racemase, biosynthetic | / | 0.453 | |
| 1nqv | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.452 | |
| 3dys | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
| 3zvm | ADP | Bifunctional polynucleotide phosphatase/kinase | 2.7.1.78 | 0.452 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.452 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 3sxj | SAM | Putative methyltransferase | / | 0.451 | |
| 2g1o | 2IG | Renin | 3.4.23.15 | 0.450 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.449 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.449 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.448 | |
| 2fap | RAD | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.448 | |
| 2fap | RAD | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.448 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.448 | |
| 3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.447 | |
| 3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.447 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.446 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.446 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.444 | |
| 3fap | ARD | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.444 | |
| 3fap | ARD | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.444 | |
| 3pka | Y02 | Methionine aminopeptidase 2 | / | 0.444 | |
| 4g2j | 0WF | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.444 | |
| 1cdo | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.443 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.443 | |
| 1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.443 | |
| 3h7r | NAP | Aldo-keto reductase family 4 member C8 | / | 0.443 | |
| 3vyf | VYF | Renin | 3.4.23.15 | 0.443 | |
| 3vsx | R32 | Renin | 3.4.23.15 | 0.442 | |
| 3jsx | CC2 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.440 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.440 |