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 |
|---|---|---|---|
| 4dlc | UMP | Deoxyuridine triphosphatase, putative |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4dlc | UMP | Deoxyuridine triphosphatase, putative | / | 1.000 | |
| 4dkb | DUN | Deoxyuridine triphosphatase, putative | / | 0.686 | |
| 2cje | DUN | DUTPase | / | 0.648 | |
| 2yay | DUP | DUTPase | / | 0.524 | |
| 3zhq | TPP | Multifunctional 2-oxoglutarate metabolism enzyme | 1.2.4.2 | 0.483 | |
| 1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.465 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.465 | |
| 4zas | TYD | CalS13 | / | 0.464 | |
| 1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.462 | |
| 1w29 | TS0 | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.458 | |
| 4utl | FNR | Xenobiotic reductase | / | 0.457 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.455 | |
| 1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.453 | |
| 3bsy | ACO | UDP-N-acetylbacillosamine N-acetyltransferase | 2.3.1.203 | 0.453 | |
| 1o6r | R19 | Squalene--hopene cyclase | 4.2.1.129 | 0.452 | |
| 2cic | DUP | DUTPase | / | 0.452 | |
| 3up3 | XCA | aceDAF-12 | / | 0.451 | |
| 4lrr | CF9 | Thymidylate synthase | / | 0.451 | |
| 2xvq | 9DS | Serum albumin | / | 0.447 | |
| 1h35 | R01 | Squalene--hopene cyclase | 4.2.1.129 | 0.445 | |
| 1zdw | FLV | Prenyltransferase | / | 0.445 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.445 | |
| 1x1a | SAM | C-20 methyltransferase | / | 0.444 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.444 | |
| 2x1e | X1E | Acyl-coenzyme A:6-aminopenicillanic-acid-acyltransferase 40 kDa form | 2.3.1.164 | 0.444 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.444 | |
| 1nqx | RLP | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
| 3occ | DIH | Purine nucleoside phosphorylase DeoD-type | / | 0.443 | |
| 2f98 | NGV | Aklanonic acid methyl ester cyclase AcmA | 5.5.1.23 | 0.442 | |
| 3pgt | GBX | Glutathione S-transferase P | 2.5.1.18 | 0.442 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.441 | |
| 2vi5 | Y19 | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
| 3bgx | MEF | Thymidylate synthase | / | 0.441 | |
| 1q45 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.440 | |
| 1txt | CAA | HMG-CoA synthase | / | 0.440 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.440 | |
| 2uuo | LK3 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.440 | |
| 2vte | IK4 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.440 | |
| 3uay | ADN | Purine nucleoside phosphorylase DeoD-type | / | 0.440 |