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 |
|---|---|---|---|
| 4weq | NAP | NAD-dependent dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4weq | NAP | NAD-dependent dehydrogenase | / | 1.000 | |
| 4z0p | NDP | NAD-dependent dehydrogenase | / | 0.595 | |
| 4xcv | NDP | Probable hydroxyacid dehydrogenase protein | / | 0.558 | |
| 5bqf | NAP | Probable hydroxyacid dehydrogenase protein | / | 0.557 | |
| 2dbq | NAP | Glyoxylate reductase | 1.1.1.26 | 0.554 | |
| 2dbz | NAP | Glyoxylate reductase | 1.1.1.26 | 0.523 | |
| 3baz | NAP | Hydroxyphenylpyruvate reductase | 1.1.1.237 | 0.502 | |
| 4nu5 | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.494 | |
| 4e5k | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.493 | |
| 1dxy | NAD | D-2-hydroxyisocaproate dehydrogenase | 1.1.1 | 0.486 | |
| 4e5n | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.485 | |
| 2g76 | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.484 | |
| 4e5m | NAP | Phosphonate dehydrogenase | 1.20.1.1 | 0.467 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.467 | |
| 5j23 | A2R | Putative 2-hydroxyacid dehydrogenase | / | 0.464 | |
| 3kb6 | NAD | D-lactate dehydrogenase | / | 0.462 | |
| 1yba | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.461 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 1zh8 | NAP | Uncharacterized protein | / | 0.456 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.453 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 2w2l | NAD | D-mandelate dehydrogenase | / | 0.452 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 2g5c | NAD | Prephenate dehydrogenase | / | 0.449 | |
| 3f3s | NAD | Lambda-crystallin homolog | / | 0.448 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 1psd | NAD | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.444 | |
| 2p9c | NAI | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.443 | |
| 5hbr | COA | Acyl-CoA synthetase (NDP forming) | / | 0.443 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 3hdy | FDA | UDP-galactopyranose mutase | / | 0.442 | |
| 3uko | NAD | Alcohol dehydrogenase class-3 | / | 0.440 | |
| 4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.440 |