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 |
|---|---|---|---|
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 1.000 | |
| 5hwo | HMG | Hydroxymethylglutaryl-CoA synthase | / | 0.566 | |
| 1txt | CAA | HMG-CoA synthase | / | 0.561 | |
| 5hwr | COA | Hydroxymethylglutaryl-CoA synthase | / | 0.558 | |
| 2p8u | COA | Hydroxymethylglutaryl-CoA synthase, cytoplasmic | 2.3.3.10 | 0.548 | |
| 5hwp | COA | Hydroxymethylglutaryl-CoA synthase | / | 0.531 | |
| 2wya | HMG | Hydroxymethylglutaryl-CoA synthase, mitochondrial | 2.3.3.10 | 0.514 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.486 | |
| 2hdj | NDP | Aldo-keto reductase family 1 member C2 | / | 0.478 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.475 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.468 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.466 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.464 | |
| 4amb | DUD | Putative glycosyl transferase | / | 0.459 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.459 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 5il2 | SAH | N6-adenosine-methyltransferase 70 kDa subunit | / | 0.455 | |
| 1ysl | COA | Hydroxymethylglutaryl-CoA synthase | 2.3.3.10 | 0.453 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.453 | |
| 4nxu | ADP | Mitochondrial dynamics protein MID51 | / | 0.453 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.452 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.452 | |
| 3ohh | 3HH | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.452 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.451 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 1o8c | NDP | Probable acrylyl-CoA reductase AcuI | 1.3.1.84 | 0.450 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.450 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.450 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.449 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.449 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4nxv | GDP | Mitochondrial dynamics protein MID51 | / | 0.449 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.448 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.447 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 2ejz | SAH | Diphthine synthase | / | 0.446 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.446 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.446 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.446 | |
| 5dp2 | NAP | CurF | / | 0.446 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.445 | |
| 1mok | FAD | 2-oxopropyl-CoM reductase, carboxylating | 1.8.1.5 | 0.445 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4jq3 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
| 4l4x | NDP | AmphI | / | 0.445 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.444 | |
| 2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.444 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4nxx | GDP | Mitochondrial dynamics protein MID51 | / | 0.444 | |
| 4xo7 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.444 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.443 | |
| 3icr | COA | Coenzyme A disulfide reductase | / | 0.443 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.443 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4ri1 | ACO | UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase | 2.3.1.202 | 0.443 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.442 | |
| 1osv | CHC | Bile acid receptor | / | 0.442 | |
| 2tps | TPS | Thiamine-phosphate synthase | / | 0.442 | |
| 3gbu | ATP | Uncharacterized sugar kinase PH1459 | 2.7.1 | 0.442 | |
| 3itz | P66 | Mitogen-activated protein kinase 14 | / | 0.442 | |
| 3r96 | ACO | MccE protein | / | 0.442 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.442 | |
| 4ku5 | DCC | 3-oxoacyl-[ACP] synthase III | / | 0.442 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.442 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.442 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.441 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.441 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.440 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 |