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 |
|---|---|---|---|
| 4ybr | NAP | Probable nicotinate-nucleotide adenylyltransferase | 2.7.7.18 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ybr | NAP | Probable nicotinate-nucleotide adenylyltransferase | 2.7.7.18 | 1.000 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.460 | |
| 1u3d | FAD | Cryptochrome-1 | / | 0.458 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.457 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.457 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.456 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.455 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.454 | |
| 1nuq | NXX | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.453 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.453 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4jic | FMN | GTN Reductase | / | 0.451 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.450 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.447 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 1u3c | FAD | Cryptochrome-1 | / | 0.446 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.445 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.445 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.445 | |
| 4imo | PWZ | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.445 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.443 | |
| 3zcs | CAW | Glycogen phosphorylase, muscle form | 2.4.1.1 | 0.443 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.442 | |
| 2hs8 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.442 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.441 | |
| 4y9u | NAP | NADPH--cytochrome P450 reductase | / | 0.441 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.441 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.441 | |
| 1p4a | PCP | Pur operon repressor | / | 0.440 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
| 3gep | 24H | Hypoxanthine-guanine phosphoribosyltransferase | 2.4.2.8 | 0.440 | |
| 3isj | A8D | Pantothenate synthetase | 6.3.2.1 | 0.440 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.440 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.440 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.440 |