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 |
|---|---|---|---|
| 4lwp | SAH | Arginine N-methyltransferase, putative |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4lwp | SAH | Arginine N-methyltransferase, putative | / | 1.000 | |
| 4hc4 | SAH | Protein arginine N-methyltransferase 6 | / | 0.579 | |
| 1orh | SAH | Protein arginine N-methyltransferase 1 | / | 0.546 | |
| 4qpp | SAH | Protein arginine N-methyltransferase 6 | / | 0.542 | |
| 4c04 | SFG | Protein arginine N-methyltransferase 6 | / | 0.511 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.484 | |
| 1rb2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.469 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.468 | |
| 3otb | DGT | Probable tRNA(His) guanylyltransferase | 2.7.7.79 | 0.468 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.465 | |
| 4epq | 0RR | Poly(ADP-ribose) glycohydrolase | / | 0.463 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.461 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.461 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.460 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.458 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.457 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.457 | |
| 4rvn | COA | Phenylacetate-coenzyme A ligase | / | 0.456 | |
| 2hwr | DRD | Peroxisome proliferator-activated receptor gamma | / | 0.454 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 3pd4 | A3G | Threonine--tRNA ligase | 6.1.1.3 | 0.454 | |
| 3u4c | NDP | NADPH-dependent reductase BacG | / | 0.454 | |
| 4gtv | 7TR | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.453 | |
| 4n82 | FMN | Ribonucleotide reductase (NrdI family protein), putative | / | 0.453 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.452 | |
| 4eqr | COA | Coenzyme A disulfide reductase | / | 0.452 | |
| 4l4a | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.452 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.451 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.451 | |
| 4e2b | FMN | Dehydrogenase | / | 0.451 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.450 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.449 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.449 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.449 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.448 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.447 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.447 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.446 | |
| 3bg7 | FAD | Pyranose 2-oxidase | / | 0.446 | |
| 1ci7 | UMP | Thymidylate synthase | 2.1.1.45 | 0.445 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.445 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.445 | |
| 4gz6 | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.445 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 3kjm | 245 | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.444 | |
| 4dch | 4DC | Glucokinase | 2.7.1.2 | 0.444 | |
| 2fto | TMP | Thymidylate synthase | / | 0.443 | |
| 2xs4 | ALA_PHE_THR | Karilysin | 3.4.24 | 0.443 | |
| 1rx5 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2a1o | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.442 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.442 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.442 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.442 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.442 | |
| 1aj8 | COA | Citrate synthase | / | 0.441 | |
| 1fml | RTL | Retinol dehydratase | / | 0.441 | |
| 1g3m | PCQ | Estrogen sulfotransferase | 2.8.2.4 | 0.441 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.441 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.441 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.440 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.440 | |
| 3k4n | FAD | Pyranose 2-oxidase | / | 0.440 |