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 |
|---|---|---|---|
| 3w3o | ROE | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3w3o | ROE | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 1.000 | |
| 3w2j | QRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.587 | |
| 3w1x | XRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.544 | |
| 3w2m | ZRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.528 | |
| 3w1t | WRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.524 | |
| 3w2u | ROU | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.513 | |
| 3w1q | YRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.508 | |
| 3w23 | 3RO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.500 | |
| 3w2n | ROD | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.491 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.490 | |
| 3w1r | MRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.487 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.474 | |
| 1udb | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.470 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.470 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.463 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.456 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.453 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.451 | |
| 4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 1udc | UFM | UDP-glucose 4-epimerase | 5.1.3.2 | 0.450 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.450 | |
| 1kvs | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.449 | |
| 1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.449 | |
| 3ieu | GDP | GTPase Era | / | 0.449 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.449 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.448 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.448 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.447 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.446 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.446 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.445 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.445 | |
| 1a9y | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.444 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.444 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.444 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.444 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.442 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.442 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.442 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.441 | |
| 3i59 | N6R | CRP-like cAMP-activated global transcriptional regulator | / | 0.441 | |
| 3w2l | VRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.441 |