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 |
|---|---|---|---|
| 1sbr | VIB | Putative HMP/thiamine-binding protein YkoF |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1sbr | VIB | Putative HMP/thiamine-binding protein YkoF | / | 1.000 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.474 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.470 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.463 | |
| 5a3b | APR | SIR2 family protein | / | 0.455 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.451 | |
| 4e2d | FMN | Dehydrogenase | / | 0.451 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.450 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.450 | |
| 4xr9 | NAD | CalS8 | / | 0.449 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.448 | |
| 3vsw | R31 | Renin | 3.4.23.15 | 0.448 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1x2h | LPA | Lipoate-protein ligase A | 6.3.1.20 | 0.447 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.447 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.446 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 3g5h | YTT | Mycocyclosin synthase | 1.14.21.9 | 0.446 | |
| 4m83 | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.446 | |
| 4rcv | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.446 | |
| 1ydt | IQB | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.445 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.445 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.443 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.442 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 4lht | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.442 | |
| 1yrd | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 4ie6 | UN9 | Alpha-ketoglutarate-dependent dioxygenase FTO | / | 0.441 | |
| 5a01 | 12V | O-glycosyltransferase | / | 0.441 | |
| 1h51 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
| 4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.440 |