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 |
|---|---|---|---|
| 4hfn | CIY | 2-alkenal reductase (NADP(+)-dependent) |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4hfn | CIY | 2-alkenal reductase (NADP(+)-dependent) | / | 1.000 | |
| 3p9t | TCL | Repressor | / | 0.485 | |
| 3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.482 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.473 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.466 | |
| 1xzq | FON | tRNA modification GTPase MnmE | 3.6.5 | 0.465 | |
| 4k9y | K9Y | Focal adhesion kinase 1 | 2.7.10.2 | 0.462 | |
| 4i9i | 1DY | Tankyrase-1 | 2.4.2.30 | 0.461 | |
| 4uga | Q05 | Nitric oxide synthase oxygenase | 1.14.13.165 | 0.457 | |
| 2hzq | STR | Apolipoprotein D | / | 0.454 | |
| 2olc | ADP | Methylthioribose kinase | 2.7.1.100 | 0.453 | |
| 4ezj | 0SC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.453 | |
| 4c3y | ANB | 3-ketosteroid dehydrogenase | / | 0.450 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.449 | |
| 1r35 | I58 | Nitric oxide synthase, inducible | 1.14.13.39 | 0.448 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.446 | |
| 1s6q | TPB | Gag-Pol polyprotein | 2.7.7.49 | 0.446 | |
| 4ezk | 0SD | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 1kyy | INI | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
| 2jg7 | NAD | Antiquitin | / | 0.445 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 3v94 | WYQ | Phosphodiesterase | / | 0.445 | |
| 4jq4 | IMN | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.445 | |
| 4fad | 0TB | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 4jda | A9S | Abscisic acid receptor PYL3 | / | 0.444 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1w7h | 3IP | Mitogen-activated protein kinase 14 | / | 0.443 | |
| 3dyn | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3nef | PYV | Abscisic acid receptor PYL1 | / | 0.443 | |
| 4o71 | CPB | Bromodomain-containing protein 4 | / | 0.443 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 3itu | IBM | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.442 | |
| 4qoe | FAD | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.442 | |
| 5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 3uza | T4G | Adenosine receptor A2a | / | 0.442 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 2qmy | FAD | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.440 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.440 | |
| 3g5m | FAD | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.440 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 4hni | 16W | Casein kinase I isoform epsilon | 2.7.11.1 | 0.440 | |
| 5d1b | TSN | Histone deacetylase 8 | 3.5.1.98 | 0.440 |