sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 1.000 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.669 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.652 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.636 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.585 | |
| 4kug | NAD | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.564 | |
| 1lso | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.521 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.500 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.500 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.497 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.488 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.485 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.476 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.467 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.467 | |
| 4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.466 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.461 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.460 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.457 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.457 | |
| 3g5h | YTT | Mycocyclosin synthase | 1.14.21.9 | 0.455 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.454 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.452 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 1kc1 | NDP | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.450 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.450 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.449 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.448 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.448 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.447 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.447 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.445 | |
| 2hrc | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 2y4g | TIR | TamL | / | 0.442 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.442 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.441 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.441 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.441 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.440 | |
| 4f9m | FCM | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
| 4xcv | NDP | Probable hydroxyacid dehydrogenase protein | / | 0.440 |