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 |
|---|---|---|---|
| 4ku2 | MYA | 3-oxoacyl-[ACP] synthase III |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ku2 | MYA | 3-oxoacyl-[ACP] synthase III | / | 1.000 | |
| 4ku3 | MYA | 3-oxoacyl-[ACP] synthase III | / | 0.614 | |
| 4ku5 | DCC | 3-oxoacyl-[ACP] synthase III | / | 0.601 | |
| 1hk2 | T44 | Serum albumin | / | 0.468 | |
| 4xzm | NAP | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.468 | |
| 3lu7 | IPX | Serum albumin | / | 0.465 | |
| 3jun | AKD | Phenazine biosynthesis protein A/B | / | 0.459 | |
| 4zas | TYD | CalS13 | / | 0.458 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.457 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 2xvw | 9NR | Serum albumin | / | 0.456 | |
| 1a5u | ATP | Pyruvate kinase PKM | 2.7.1.40 | 0.455 | |
| 5c7h | NDP | Putative oxidoreductase | / | 0.455 | |
| 2xvv | 9DN | Serum albumin | / | 0.454 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.453 | |
| 2qw0 | 34Z | 4-chlorobenzoyl CoA ligase | / | 0.453 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 3qaq | QAQ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.450 | |
| 4h4q | FAD | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.450 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 4kug | NAD | 3-hydroxybutyryl-CoA dehydrogenase | / | 0.449 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.449 | |
| 1nzf | UPG | DNA beta-glucosyltransferase | / | 0.448 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.448 | |
| 4ixc | 1JD | Glucokinase | 2.7.1.2 | 0.448 | |
| 3t99 | ADP | Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 | / | 0.447 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.446 | |
| 4jhz | 1KV | Beta-glucuronidase | 3.2.1.31 | 0.446 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 2v4l | ABJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.444 | |
| 4wuj | FMN | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | / | 0.444 | |
| 1g6c | IFP | Thiamine-phosphate synthase | / | 0.443 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.443 | |
| 2p9c | NAI | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.443 | |
| 1fnn | ADP | ORC1-type DNA replication protein | / | 0.442 | |
| 2xvd | AS6 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.442 | |
| 2yxl | SFG | 450aa long hypothetical fmu protein | / | 0.442 | |
| 3g8d | ADP | Biotin carboxylase | 6.3.4.14 | 0.442 | |
| 4ebf | NAD | Phosphonate dehydrogenase | 1.20.1.1 | 0.442 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.442 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.441 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.441 | |
| 4xgx | ADP | FAD:protein FMN transferase | / | 0.441 | |
| 1kvt | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.440 | |
| 2nom | DUT | Poly(A) polymerase, putative | / | 0.440 | |
| 4o3m | ADP | Bloom syndrome protein | 3.6.4.12 | 0.440 |