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 |
|---|---|---|---|
| 4pan | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4pan | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 1.000 | |
| 3ums | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.566 | |
| 4pao | GSP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.514 | |
| 1gil | GSP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.505 | |
| 3c15 | GSP | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | / | 0.494 | |
| 1gia | GSP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.490 | |
| 3c16 | GSP | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | / | 0.479 | |
| 1azt | GSP | Guanine nucleotide-binding protein G(s) subunit alpha isoforms short | / | 0.477 | |
| 1y3a | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.476 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 4fid | GDP | G protein alpha subunit, putative | / | 0.466 | |
| 1got | GDP | Guanine nucleotide-binding protein G(t) subunit alpha-1 | / | 0.462 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.456 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.450 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1gp2 | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.449 | |
| 2y05 | NAP | Prostaglandin reductase 1 | / | 0.449 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.448 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.448 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2b53 | D23 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 5k5z | ANP | Uncharacterized protein | / | 0.445 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.444 | |
| 1ep1 | FMN | Dihydroorotate dehydrogenase B (NAD(+)), catalytic subunit | 1.3.1.14 | 0.443 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.443 | |
| 2bfr | ADP | [Protein ADP-ribosylglutamate] hydrolase AF_1521 | 3.2.2 | 0.442 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.441 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4hxy | NDP | Plm1 | / | 0.440 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 |