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 |
|---|---|---|---|
| 5fsy | AR6 | Uncharacterized protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5fsy | AR6 | Uncharacterized protein | / | 1.000 | |
| 5fsx | ADP | Uncharacterized protein | / | 0.581 | |
| 2bfq | AR6 | [Protein ADP-ribosylglutamate] hydrolase AF_1521 | 3.2.2 | 0.544 | |
| 5cb3 | APR | O-acetyl-ADP-ribose deacetylase | / | 0.527 | |
| 2bfr | ADP | [Protein ADP-ribosylglutamate] hydrolase AF_1521 | 3.2.2 | 0.500 | |
| 5cb5 | APR | O-acetyl-ADP-ribose deacetylase | / | 0.498 | |
| 3ewr | APR | Replicase polyprotein 1a | 3.4.22 | 0.484 | |
| 2fav | APR | Nonstructural polyprotein pp1a | / | 0.476 | |
| 3sig | AR6 | Uncharacterized protein | / | 0.473 | |
| 3q71 | AR6 | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.469 | |
| 4i4b | 1CV | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.88 | 0.469 | |
| 1dli | UDX | UDP-glucose 6-dehydrogenase | / | 0.468 | |
| 1ty8 | ADP | Probable ADP-ribose 1''-phosphate phosphatase YML087W | 3.1.3.84 | 0.468 | |
| 3vfq | AR6 | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.467 | |
| 4b1i | A8P | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.467 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.466 | |
| 4d86 | ADP | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.466 | |
| 3gqo | APR | Non-structural polyprotein | / | 0.465 | |
| 1txz | APR | Probable ADP-ribose 1''-phosphate phosphatase YML087W | 3.1.3.84 | 0.462 | |
| 1omo | NAD | Alanine dehydrogenase | / | 0.459 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.457 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.456 | |
| 5hwr | COA | Hydroxymethylglutaryl-CoA synthase | / | 0.456 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1kt8 | ILP | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.454 | |
| 3fp0 | FP0 | 15-O-acetyltransferase | / | 0.454 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 4xq9 | NAD | Homospermidine synthase | 2.5.1.44 | 0.453 | |
| 4b1h | AR6 | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.452 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 5hwp | COA | Hydroxymethylglutaryl-CoA synthase | / | 0.451 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.449 | |
| 4y35 | F90 | Endothiapepsin | 3.4.23.22 | 0.449 | |
| 2fa3 | ACO | Hydroxymethylglutaryl-CoA synthase | / | 0.448 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 4uun | NAI | L-lactate dehydrogenase | / | 0.448 | |
| 4b1j | A1R | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.447 | |
| 4tvb | NAD | Homospermidine synthase | 2.5.1.44 | 0.447 | |
| 2bri | ANP | Uridylate kinase | 2.7.4.22 | 0.446 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.446 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 3phi | NDP | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 4an4 | DUD | Putative glycosyl transferase | / | 0.445 | |
| 4i02 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.445 | |
| 4ozt | P1A | Ecdysone receptor, putative | / | 0.445 | |
| 1ur5 | NAD | Malate dehydrogenase | / | 0.444 | |
| 1xh7 | R96 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.444 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.444 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.443 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1tdc | UMP | Thymidylate synthase | / | 0.441 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.441 | |
| 3a6q | FMN | FMN-binding protein | / | 0.441 | |
| 1p84 | UQ6 | Cytochrome b | / | 0.440 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.440 | |
| 4i9n | 1E5 | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.440 |