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 |
|---|---|---|---|
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 1.000 | |
| 1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.756 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.743 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.723 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.720 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.710 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.683 | |
| 1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.672 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.672 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.667 | |
| 2ckm | AA7 | Acetylcholinesterase | 3.1.1.7 | 0.651 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.639 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.637 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.617 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.600 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.600 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.590 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.583 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.579 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.579 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.575 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.568 | |
| 1eve | E20 | Acetylcholinesterase | 3.1.1.7 | 0.564 | |
| 1w76 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.563 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.563 | |
| 2cmf | F11 | Acetylcholinesterase | 3.1.1.7 | 0.562 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.560 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.558 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.552 | |
| 2xuk | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.550 | |
| 2gyu | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.548 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.548 | |
| 2ha6 | SCK | Acetylcholinesterase | 3.1.1.7 | 0.539 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.539 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.538 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.529 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.528 | |
| 2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.527 | |
| 4a16 | H34 | Acetylcholinesterase | 3.1.1.7 | 0.526 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.509 | |
| 1jqd | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.488 | |
| 2wu4 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.484 | |
| 3jsx | CC2 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.482 | |
| 2a0x | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.478 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.472 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.471 | |
| 3ggs | 2FD | Purine nucleoside phosphorylase | 2.4.2.1 | 0.462 | |
| 4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.461 | |
| 1v3q | 2DI | Purine nucleoside phosphorylase | 2.4.2.1 | 0.460 | |
| 3gjw | GJW | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.458 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.457 | |
| 2rd6 | 78P | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.456 | |
| 4gd4 | 0WS | Lysine-specific demethylase 4A | 1.14.11 | 0.456 | |
| 1rr6 | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.455 | |
| 4mr7 | 2BV | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.455 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.453 | |
| 4m0f | 1YK | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.449 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.449 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.448 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.448 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.448 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.447 | |
| 2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.447 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 3hdy | GDU | UDP-galactopyranose mutase | / | 0.447 | |
| 1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.446 | |
| 2aj4 | ANP | Galactokinase | 2.7.1.6 | 0.446 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.445 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 3r8h | ZOM | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 4mr9 | 2BX | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.444 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3dyn | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3k8q | 22A | Purine nucleoside phosphorylase | 2.4.2.1 | 0.443 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.442 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.442 | |
| 1yci | NDF | Hypoxia-inducible factor 1-alpha inhibitor | 1.14.11.30 | 0.442 | |
| 2xlp | NAP | Putative flavin-containing monooxygenase | / | 0.442 | |
| 3dzk | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.442 | |
| 3qe2 | FMN | NADPH--cytochrome P450 reductase | / | 0.442 | |
| 1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.441 | |
| 1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.441 | |
| 1nqv | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
| 2b82 | ADN | Class B acid phosphatase | 3.1.3.2 | 0.441 | |
| 4b66 | NAP | L-ornithine N(5)-monooxygenase | / | 0.441 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.441 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.440 | |
| 2cda | NAP | Glucose 1-dehydrogenase | / | 0.440 | |
| 3hk1 | B64 | Fatty acid-binding protein, adipocyte | / | 0.440 | |
| 3ziu | LSS | Leucyl-tRNA synthetase | / | 0.440 |