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 |
|---|---|---|---|
| 2kce | D16 | Thymidylate synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2kce | D16 | Thymidylate synthase | / | 1.000 | |
| 1aiq | CB3 | Thymidylate synthase | / | 0.595 | |
| 1dna | CB3 | Thymidylate synthase | / | 0.593 | |
| 1fwm | CB3 | Thymidylate synthase | / | 0.581 | |
| 1kce | CB3 | Thymidylate synthase | / | 0.571 | |
| 2tsc | CB3 | Thymidylate synthase | / | 0.542 | |
| 1jut | LYD | Thymidylate synthase | / | 0.535 | |
| 1zpr | CB3 | Thymidylate synthase | / | 0.534 | |
| 2bbq | PFG | Thymidylate synthase | / | 0.531 | |
| 1f4f | TP3 | Thymidylate synthase | / | 0.525 | |
| 1kzi | THG | Thymidylate synthase | / | 0.523 | |
| 1nce | CB3 | Thymidylate synthase | / | 0.520 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.518 | |
| 1ddu | CB3 | Thymidylate synthase | / | 0.506 | |
| 1tys | DHF | Thymidylate synthase | / | 0.506 | |
| 3bgx | MEF | Thymidylate synthase | / | 0.504 | |
| 4gev | CB3 | Thymidylate synthase | / | 0.500 | |
| 2fto | CB3 | Thymidylate synthase | / | 0.499 | |
| 4fqs | LYA | Thymidylate synthase ThyA | / | 0.499 | |
| 4knz | CB3 | Thymidylate synthase | / | 0.499 | |
| 1f4g | TP4 | Thymidylate synthase | / | 0.495 | |
| 1jtq | LY3 | Thymidylate synthase | / | 0.494 | |
| 1trg | CB3 | Thymidylate synthase | / | 0.482 | |
| 1bq1 | CB3 | Thymidylate synthase | / | 0.472 | |
| 1jtu | LYB | Thymidylate synthase | / | 0.467 | |
| 1fml | RTL | Retinol dehydratase | / | 0.462 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.462 | |
| 1qzf | CB3 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.459 | |
| 1syn | F89 | Thymidylate synthase | / | 0.459 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.459 | |
| 3bhl | THG | Thymidylate synthase | / | 0.458 | |
| 4ez8 | DHF | Thymidylate synthase | 2.1.1.45 | 0.453 | |
| 1axw | MTX | Thymidylate synthase | / | 0.452 | |
| 1juj | LYA | Thymidylate synthase | 2.1.1.45 | 0.452 | |
| 4isk | 1JY | Thymidylate synthase | / | 0.452 | |
| 4e2b | FMN | Dehydrogenase | / | 0.449 | |
| 4fog | C2F | Thymidylate synthase ThyA | / | 0.449 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.448 | |
| 1tsd | F89 | Thymidylate synthase | / | 0.448 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.446 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.446 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.446 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.446 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.446 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.445 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.444 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.444 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 2fto | TMP | Thymidylate synthase | / | 0.443 | |
| 1ju6 | LYA | Thymidylate synthase | 2.1.1.45 | 0.442 | |
| 1tdu | CB3 | Thymidylate synthase | / | 0.442 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.442 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 4eua | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.441 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 |