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 |
|---|---|---|---|
| 2plw | SAM | Ribosomal RNA methyltransferase, putative |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2plw | SAM | Ribosomal RNA methyltransferase, putative | / | 1.000 | |
| 2nyu | SAM | rRNA methyltransferase 2, mitochondrial | / | 0.533 | |
| 4n48 | SAM | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1 | 2.1.1.57 | 0.484 | |
| 2aa0 | MTP | Adenosine kinase | 2.7.1.20 | 0.472 | |
| 5d4u | SAM | Uncharacterized protein MJ0489 | / | 0.472 | |
| 1dq8 | COA | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.34 | 0.464 | |
| 1ydt | IQB | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.464 | |
| 4y95 | 746 | Tyrosine-protein kinase | / | 0.464 | |
| 5d1n | SAH | Uncharacterized protein | / | 0.464 | |
| 2jds | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.463 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.462 | |
| 4lop | SB4 | Mitogen-activated protein kinase 14 | / | 0.462 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.461 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.460 | |
| 1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.459 | |
| 2p2b | PRX | Acetyl-coenzyme A synthetase | / | 0.458 | |
| 3w8q | AGS | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.458 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.456 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.456 | |
| 4lrz | ADP | PEP-dependent dihydroxyacetone kinase, ADP-binding subunit DhaL | 2.7 | 0.456 | |
| 1ju9 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.455 | |
| 3ut5 | LOC | Tubulin beta chain | / | 0.455 | |
| 4uck | SAM | Large structural protein | / | 0.455 | |
| 1osv | CHC | Bile acid receptor | / | 0.454 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.452 | |
| 4aac | AAV | Mitogen-activated protein kinase 14 | / | 0.452 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.451 | |
| 4fv5 | EK9 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.450 | |
| 4fkv | 61K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 1i5b | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.448 | |
| 1l3i | SAH | Probable cobalt-precorrin-6B C(15)-methyltransferase (decarboxylating) | / | 0.448 | |
| 1h73 | ANP | Homoserine kinase | 2.7.1.39 | 0.447 | |
| 2b4t | AES | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.447 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.447 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 2xyr | SFG | Replicase polyprotein 1ab | 2.1.1 | 0.445 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4ctk | SAM | Genome polyprotein | / | 0.445 | |
| 4f65 | 0S9 | Fibroblast growth factor receptor 1 | / | 0.445 | |
| 4fx3 | 60K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 4loq | SB4 | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 2yyl | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.444 | |
| 3k5u | PFQ | Aurora kinase A | 2.7.11.1 | 0.444 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.444 | |
| 3nwx | KVS | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.443 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 4nk9 | 2K5 | Fibroblast growth factor receptor 1 | / | 0.443 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.443 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.442 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.441 | |
| 1g5s | I17 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.441 | |
| 1pg3 | PRX | Acetyl-coenzyme A synthetase | / | 0.441 | |
| 2qe6 | SAM | Uncharacterized protein | / | 0.441 | |
| 3ksd | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1 | / | 0.441 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 | |
| 1uum | FMN | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.440 | |
| 1w4x | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.440 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.440 | |
| 2p33 | J07 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.440 | |
| 2uzw | SS4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.440 | |
| 3rak | 03Z | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 |