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 |
|---|---|---|---|
| 4zhi | ADP | Kinesin-like protein KIF11 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4zhi | ADP | Kinesin-like protein KIF11 | / | 1.000 | |
| 3g70 | A5T | Renin | 3.4.23.15 | 0.476 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 3elm | 24F | Collagenase 3 | 3.4.24 | 0.461 | |
| 3uza | T4G | Adenosine receptor A2a | / | 0.461 | |
| 1ci7 | UMP | Thymidylate synthase | 2.1.1.45 | 0.460 | |
| 2y46 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.460 | |
| 2yac | 937 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.460 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.459 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.459 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.458 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.458 | |
| 4c3y | ANB | 3-ketosteroid dehydrogenase | / | 0.458 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 4fhd | 0TT | Spore photoproduct lyase | / | 0.453 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.452 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.451 | |
| 1mvc | BM6 | Retinoic acid receptor RXR-alpha | / | 0.449 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.449 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 1fml | RTL | Retinol dehydratase | / | 0.448 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.448 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 4i6h | 1C8 | Serine/threonine-protein kinase PLK2 | 2.7.11.21 | 0.447 | |
| 4ux6 | H4B | Nitric oxide synthase, inducible | 1.14.13.39 | 0.447 | |
| 1d6w | 00R | Prothrombin | 3.4.21.5 | 0.446 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 2b03 | TUD | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.445 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.445 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.445 | |
| 2xae | ADP | Kinesin-like protein KIF11 | / | 0.445 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4js9 | H4B | Nitric oxide synthase, inducible | 1.14.13.39 | 0.445 | |
| 1mzn | BM6 | Retinoic acid receptor RXR-alpha | / | 0.444 | |
| 1zid | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 2a19 | ANP | Interferon-induced, double-stranded RNA-activated protein kinase | 2.7.11.1 | 0.444 | |
| 2pg2 | ADP | Kinesin-like protein KIF11 | / | 0.444 | |
| 3sqw | ANP | ATP-dependent RNA helicase MSS116, mitochondrial | 3.6.4.13 | 0.444 | |
| 4zqc | F6F | Tryptophan synthase alpha chain | / | 0.444 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3eku | CY9 | Actin-5C | / | 0.443 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.443 | |
| 4m52 | FAD | Dihydrolipoyl dehydrogenase | 1.8.1.4 | 0.443 | |
| 4qjq | OTR | Lactoperoxidase | / | 0.443 | |
| 4zj8 | SUV | Orexin receptor type 1 | / | 0.443 | |
| 1t13 | INI | 6,7-dimethyl-8-ribityllumazine synthase 2 | / | 0.442 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 3p99 | LNP | Lanosterol 14-alpha-demethylase | / | 0.442 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 4g48 | PZB | Mycocyclosin synthase | 1.14.21.9 | 0.442 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1k2t | H4B | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.441 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 3bxx | QUE | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.441 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2y98 | MIV | Mycinamicin IV hydroxylase/epoxidase | / | 0.440 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 3wv9 | FEG | Hmd co-occurring protein HcgE | / | 0.440 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4qys | PLR | Tryptophan synthase beta chain 2 | 4.2.1.20 | 0.440 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.440 | |
| 4ea3 | 0NN | Nociceptin receptor | / | 0.440 |