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 |
|---|---|---|---|
| 2x1l | ADN | Methionine--tRNA ligase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2x1l | ADN | Methionine--tRNA ligase | / | 1.000 | |
| 1pg0 | MOD | Methionine--tRNA ligase | 6.1.1.10 | 0.501 | |
| 1pfy | MSP | Methionine--tRNA ligase | 6.1.1.10 | 0.495 | |
| 2ct8 | MSP | Methionine--tRNA ligase | 6.1.1.10 | 0.492 | |
| 1qu2 | MRC | Isoleucine--tRNA ligase | 6.1.1.5 | 0.488 | |
| 1ffy | MRC | Isoleucine--tRNA ligase | 6.1.1.5 | 0.485 | |
| 3c35 | KAI | Glutamate receptor ionotropic, kainate 1 | / | 0.480 | |
| 1gax | VAA | Valine--tRNA ligase | 6.1.1.9 | 0.471 | |
| 1fw0 | KAI | Glutamate receptor 2 | / | 0.466 | |
| 4br0 | AU1 | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.464 | |
| 4gh1 | 0WX | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.461 | |
| 1c4y | IH3 | Prothrombin | 3.4.21.5 | 0.460 | |
| 2pbw | DOQ | Glutamate receptor ionotropic, kainate 1 | / | 0.459 | |
| 3b7d | CNI | Glutamate receptor 2 | / | 0.459 | |
| 2g1a | 5HG | Class B acid phosphatase | 3.1.3.2 | 0.458 | |
| 3c36 | KAI | Glutamate receptor ionotropic, kainate 1 | / | 0.458 | |
| 1pg2 | ADN | Methionine--tRNA ligase | 6.1.1.10 | 0.457 | |
| 1x2e | ATX | Proline iminopeptidase | 3.4.11.5 | 0.457 | |
| 3dzj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.456 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.454 | |
| 4n3l | 2FN | Prothrombin | 3.4.21.5 | 0.454 | |
| 2b8j | ADN | Class B acid phosphatase | 3.1.3.2 | 0.453 | |
| 1c3x | 8IG | Purine nucleoside phosphorylase | 2.4.2.1 | 0.450 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.450 | |
| 3cr0 | 809 | Wee1-like protein kinase | 2.7.10.2 | 0.450 | |
| 1q63 | AIQ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.449 | |
| 2xke | WI2 | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.449 | |
| 1w19 | T4P | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.448 | |
| 2avx | HTF | Regulatory protein SdiA | / | 0.447 | |
| 4m2b | UPG | UDP-glucose pyrophosphorylase | / | 0.446 | |
| 4psb | GA3 | Cytokinin-specific binding protein | / | 0.446 | |
| 2rd6 | 78P | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.445 | |
| 3c27 | DKK | Prothrombin | 3.4.21.5 | 0.445 | |
| 3ce0 | P34 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.445 | |
| 2r2m | I50 | Prothrombin | 3.4.21.5 | 0.444 | |
| 2rd2 | QSI | Glutamine--tRNA ligase | 6.1.1.18 | 0.444 | |
| 2zu9 | GDP | Mannosyl-3-phosphoglycerate synthase | 2.4.1.217 | 0.444 | |
| 3e6e | DCS | Alanine racemase | / | 0.443 | |
| 3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4r09 | URI | Toll-like receptor 8 | / | 0.443 | |
| 1eir | BPY | Biphenyl-2,3-diol 1,2-dioxygenase | 1.13.11.39 | 0.442 | |
| 4a4o | 664 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.442 | |
| 4c36 | ZO9 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4yao | 2AM | NADPH--cytochrome P450 reductase | / | 0.442 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.441 | |
| 3hbf | MYC | Flavonoid 3-O-glucosyltransferase | 2.4.1 | 0.440 |