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 |
|---|---|---|---|
| 2ibw | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ibw | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 1.000 | |
| 2ibu | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.683 | |
| 2iby | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.643 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.478 | |
| 4o9c | COA | Acetyl-CoA acetyltransferase | 2.3.1.9 | 0.475 | |
| 4ku5 | DCC | 3-oxoacyl-[ACP] synthase III | / | 0.474 | |
| 4c2j | COA | 3-ketoacyl-CoA thiolase, mitochondrial | 2.3.1.16 | 0.472 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.470 | |
| 1cul | FOK | Adenylate cyclase type 2 | / | 0.463 | |
| 1cul | FOK | Adenylate cyclase type 5 | / | 0.463 | |
| 3w0j | T08 | Vitamin D3 receptor | / | 0.459 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.458 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.457 | |
| 1d3d | BZT | Prothrombin | 3.4.21.5 | 0.456 | |
| 3q71 | AR6 | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.455 | |
| 4g1d | 0VK | Vitamin D3 receptor A | / | 0.455 | |
| 4itf | TFY | Vitamin D3 receptor | / | 0.455 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.454 | |
| 3w0a | DS5 | Vitamin D3 receptor | / | 0.453 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.453 | |
| 1s19 | MC9 | Vitamin D3 receptor | / | 0.452 | |
| 3a78 | 3EV | Vitamin D3 receptor | / | 0.451 | |
| 2ylr | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.450 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.450 | |
| 4cf6 | CBD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.449 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.449 | |
| 1e2n | RCA | Thymidine kinase | / | 0.447 | |
| 3iae | D7K | Benzaldehyde lyase | / | 0.446 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.445 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.445 | |
| 4ri1 | ACO | UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase | 2.3.1.202 | 0.445 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.443 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.442 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.442 | |
| 3w0c | 6DS | Vitamin D3 receptor | / | 0.442 | |
| 4l4x | NDP | AmphI | / | 0.442 | |
| 1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.441 | |
| 3q3c | NAD | NAD-dependent L-serine dehydrogenase | / | 0.441 | |
| 3vt3 | VDX | Vitamin D3 receptor | / | 0.441 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.440 |