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 |
|---|---|---|---|
| 1g0r | THM | Glucose-1-phosphate thymidylyltransferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1g0r | THM | Glucose-1-phosphate thymidylyltransferase | / | 1.000 | |
| 1g2v | TTP | Glucose-1-phosphate thymidylyltransferase | / | 0.647 | |
| 4ho8 | THM | Glucose-1-phosphate thymidylyltransferase | / | 0.538 | |
| 5ify | UMP | Glucose-1-phosphate thymidylyltransferase | / | 0.526 | |
| 1fxo | TMP | Glucose-1-phosphate thymidylyltransferase | / | 0.522 | |
| 4ho9 | UTP | Glucose-1-phosphate thymidylyltransferase | / | 0.516 | |
| 4ho4 | THM | Glucose-1-phosphate thymidylyltransferase | / | 0.505 | |
| 4asy | N5Y | Glucose-1-phosphate thymidylyltransferase | / | 0.498 | |
| 1h5t | TYD | Glucose-1-phosphate thymidylyltransferase 1 | / | 0.478 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.473 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.467 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.467 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.466 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.466 | |
| 3i1y | 33N | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.463 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.462 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.461 | |
| 3nl6 | TPS | Uncharacterized protein | / | 0.459 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.458 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.457 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.455 | |
| 1cjv | FOK | Adenylate cyclase type 2 | / | 0.454 | |
| 1cjv | FOK | Adenylate cyclase type 5 | / | 0.454 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.454 | |
| 5kf1 | ACO | Predicted acetyltransferase | / | 0.454 | |
| 5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.454 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.453 | |
| 4l8u | 9AZ | Serum albumin | / | 0.453 | |
| 4xsv | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.452 | |
| 5kgh | ACO | Predicted acetyltransferase | / | 0.452 | |
| 2o1x | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.451 | |
| 2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.450 | |
| 4jhz | 1KV | Beta-glucuronidase | 3.2.1.31 | 0.449 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.449 | |
| 4u7w | NDP | MxaA | / | 0.449 | |
| 5kf8 | ACO | Predicted acetyltransferase | / | 0.449 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.448 | |
| 3b4y | F42 | F420-dependent glucose-6-phosphate dehydrogenase | / | 0.448 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.448 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.448 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 4e5p | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.447 | |
| 4u0o | MTA | Lipoyl synthase 2 | / | 0.447 | |
| 1fml | RTL | Retinol dehydratase | / | 0.446 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.446 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 2nmt | MIM | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.445 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.445 | |
| 4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.445 | |
| 4opi | FDA | Conserved Archaeal protein | / | 0.445 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.444 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.444 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.444 | |
| 5hyn | SAH | Histone-lysine N-methyltransferase EZH2 | 2.1.1.43 | 0.444 | |
| 1dfo | FFO | Serine hydroxymethyltransferase | 2.1.2.1 | 0.443 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.443 | |
| 2vd0 | D27 | Hematopoietic prostaglandin D synthase | / | 0.443 | |
| 3u8m | 09R | Acetylcholine-binding protein | / | 0.443 | |
| 3wrj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 1tl7 | FOK | Adenylate cyclase type 2 | / | 0.442 | |
| 1tl7 | FOK | Adenylate cyclase type 5 | / | 0.442 | |
| 2g0n | GDP | Ras-related C3 botulinum toxin substrate 3 | / | 0.442 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.442 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.442 | |
| 3ioc | A5D | Pantothenate synthetase | 6.3.2.1 | 0.442 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.442 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.442 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.442 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.442 | |
| 1yrc | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3oqu | A8S | Abscisic acid receptor PYL9 | / | 0.441 | |
| 4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.441 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.441 | |
| 4pd6 | URI | Nucleoside permease | / | 0.441 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.440 | |
| 2y3p | SM8 | DNA gyrase subunit A | / | 0.440 | |
| 4i13 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 |