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 |
|---|---|---|---|
| 2dfd | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2dfd | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 1.000 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.611 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.604 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.470 | |
| 2xh9 | J01 | Uncharacterized protein | / | 0.467 | |
| 2cmw | OLP | Casein kinase I isoform gamma-1 | 2.7.11.1 | 0.466 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.459 | |
| 3zk5 | Z18 | Cytochrome P450 monooxygenase PikC | / | 0.459 | |
| 2qhc | AB1 | Protease | / | 0.455 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 4b7d | QLE | Cytochrome P450 monooxygenase PikC | / | 0.448 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.446 | |
| 3ics | ADP | Coenzyme A disulfide reductase | / | 0.446 | |
| 2vzm | NRB | Cytochrome P450 monooxygenase PikC | / | 0.445 | |
| 3pgq | GY3 | Acetyl-CoA carboxylase | / | 0.445 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 3cs8 | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 4xld | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4h0x | NAD | Iota toxin component Ia | / | 0.443 | |
| 4hee | 14R | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 1iwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 1sn5 | T3 | Transthyretin | / | 0.442 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.442 | |
| 4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.442 | |
| 5cwa | 0GA | Anthranilate synthase component 1 | 4.1.3.27 | 0.442 | |
| 3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 2y8q | ADP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.440 | |
| 3ict | ADP | Coenzyme A disulfide reductase | / | 0.440 | |
| 3iel | U5P | Ribonuclease TTHA0252 | 3.1 | 0.440 | |
| 4l42 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.440 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.440 |