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 |
|---|---|---|---|
| 1p16 | GTP | mRNA-capping enzyme subunit alpha | 2.7.7.50 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1p16 | GTP | mRNA-capping enzyme subunit alpha | 2.7.7.50 | 1.000 | |
| 4c1f | X8Z | Metallo-beta-lactamase type 2 | / | 0.463 | |
| 4tzt | 468 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.463 | |
| 4ckr | DI1 | Epithelial discoidin domain-containing receptor 1 | 2.7.10.1 | 0.461 | |
| 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 | 0.458 | |
| 4yx6 | FMN | Omega-3 polyunsaturated fatty acid synthase subunit PfaD | / | 0.457 | |
| 1nsy | ATP | NH(3)-dependent NAD(+) synthetase | 6.3.1.5 | 0.455 | |
| 2cdz | 23D | Serine/threonine-protein kinase PAK 4 | 2.7.11.1 | 0.450 | |
| 2ea1 | GPG | Ribonuclease I | 3.1.27.6 | 0.450 | |
| 1juj | LYA | Thymidylate synthase | 2.1.1.45 | 0.449 | |
| 3gxo | MQA | Mitomycin biosynthesis 6-O-methyltransferase | / | 0.449 | |
| 4u0k | 744 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.449 | |
| 3a62 | STU | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.448 | |
| 1dd6 | MCI | Metallo-beta-lactamase type 2 | / | 0.445 | |
| 2fto | CB3 | Thymidylate synthase | / | 0.445 | |
| 5c8d | 5AD | Probable transcriptional regulator | / | 0.445 | |
| 2pul | ACP | Methylthioribose kinase | 2.7.1.100 | 0.443 | |
| 4j53 | 1J4 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.443 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 4aw1 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.442 | |
| 3neg | PYV | Abscisic acid receptor PYL1 | / | 0.441 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 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 | 0.440 | |
| 3bqr | 4RB | Death-associated protein kinase 3 | / | 0.440 | |
| 4bb5 | HD2 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 |