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 |
|---|---|---|---|
| 3w2u | ROU | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3w2u | ROU | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 1.000 | |
| 3w1r | MRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.662 | |
| 3w1t | WRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.639 | |
| 3w2n | ROD | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.596 | |
| 3w2m | ZRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.571 | |
| 3w3o | ROE | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.558 | |
| 3w1x | XRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.535 | |
| 3w23 | 3RO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.524 | |
| 3w1q | YRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.509 | |
| 3w2j | QRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.478 | |
| 3w2l | VRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.476 | |
| 3enk | UPG | UDP-glucose 4-epimerase | / | 0.472 | |
| 1t09 | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.470 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.467 | |
| 2y4g | TIR | TamL | / | 0.460 | |
| 1bwf | ATF | Glycerol kinase | / | 0.456 | |
| 2eud | GCQ | Ribonucleoside-diphosphate reductase large chain 1 | 1.17.4.1 | 0.454 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.452 | |
| 1l3i | SAH | Probable cobalt-precorrin-6B C(15)-methyltransferase (decarboxylating) | / | 0.447 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.447 | |
| 2b36 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 4brg | GNP | Ectonucleoside triphosphate diphosphohydrolase I | / | 0.447 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.446 | |
| 4g74 | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.446 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
| 3cis | ATP | Universal stress protein Rv2623 | / | 0.445 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.445 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.444 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.444 | |
| 4ebf | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.444 | |
| 4g9k | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.444 | |
| 4eo3 | FMN | Bacterioferritin comigratory protein/NADH dehydrogenase | / | 0.443 | |
| 4m55 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.443 | |
| 1nuu | NAD | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.442 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.442 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.442 | |
| 1ny3 | ADP | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.441 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.441 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.441 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.441 | |
| 3pw8 | ACO | 1,2-phenylacetyl-CoA epoxidase, subunit A | 1.14.13.149 | 0.441 | |
| 3r88 | 14F | Anthranilate phosphoribosyltransferase | / | 0.441 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.441 | |
| 4jia | 1K3 | Tyrosine-protein kinase JAK2 | / | 0.441 | |
| 1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.440 | |
| 3nl6 | TPS | Uncharacterized protein | / | 0.440 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.440 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.440 |