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 |
|---|---|---|---|
| 3qzy | FAD | FAD-linked sulfhydryl oxidase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3qzy | FAD | FAD-linked sulfhydryl oxidase | / | 1.000 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.476 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.472 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.463 | |
| 1txt | CAA | HMG-CoA synthase | / | 0.461 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.459 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.458 | |
| 3qi4 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.458 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.458 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.455 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.453 | |
| 3oji | PYV | Abscisic acid receptor PYL3 | / | 0.453 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.451 | |
| 4isk | UMP | Thymidylate synthase | / | 0.450 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.450 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.449 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.449 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.447 | |
| 3jun | AKD | Phenazine biosynthesis protein A/B | / | 0.447 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.446 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.446 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.445 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.444 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3anm | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.443 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3c3d | FO1 | 2-phospho-L-lactate transferase | / | 0.442 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3zec | ANP | Adenosine monophosphate-protein transferase SoFic | 2.7.7.n1 | 0.442 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 2xf3 | J01 | Uncharacterized protein | / | 0.441 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 3pm1 | ET | HTH-type transcriptional regulator QacR | / | 0.440 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 |