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 |
|---|---|---|---|
| 1mtc | GPR | Glutathione S-transferase Mu 1 | 2.5.1.18 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1mtc | GPR | Glutathione S-transferase Mu 1 | 2.5.1.18 | 1.000 | |
| 6gsu | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.590 | |
| 6gsv | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.567 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.482 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.478 | |
| 4iae | 1DX | Alr2278 protein | / | 0.472 | |
| 3w0i | O11 | Vitamin D3 receptor | / | 0.470 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.467 | |
| 5dp2 | NAP | CurF | / | 0.467 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.466 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.463 | |
| 5doz | NDP | JamJ | / | 0.459 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.458 | |
| 3vt4 | 5YI | Vitamin D3 receptor | / | 0.457 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.454 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.454 | |
| 1c7o | PPG | Hemolysin | / | 0.453 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 3vtd | TKD | Vitamin D3 receptor | / | 0.451 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.450 | |
| 1q1r | FAD | Putidaredoxin reductase | 1.18.1.5 | 0.449 | |
| 1xuo | LA1 | Integrin alpha-L | / | 0.449 | |
| 3dr4 | G4M | GDP-perosamine synthase | / | 0.449 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.449 | |
| 1fds | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.448 | |
| 1kce | CB3 | Thymidylate synthase | / | 0.448 | |
| 3dr7 | GPD | GDP-perosamine synthase | / | 0.448 | |
| 2v16 | C47 | Renin | 3.4.23.15 | 0.447 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.447 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.447 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.446 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 3u4o | 08E | Genome polyprotein | 2.7.7.48 | 0.446 | |
| 3u9f | CLM | Chloramphenicol acetyltransferase | 2.3.1.28 | 0.446 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.446 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.445 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.445 | |
| 3g70 | A5T | Renin | 3.4.23.15 | 0.445 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.445 | |
| 4g1d | 0VK | Vitamin D3 receptor A | / | 0.445 | |
| 2lba | CHO | Fatty acid binding protein 6 | / | 0.444 | |
| 2ohi | FMN | Type A flavoprotein FprA | 1 | 0.444 | |
| 2xlp | FAD | Putative flavin-containing monooxygenase | / | 0.444 | |
| 2zl9 | VDA | Vitamin D3 receptor | / | 0.444 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.444 | |
| 4u2l | SFD | Cholesterol oxidase | 1.1.3.6 | 0.444 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4kwh | NAP | Reductase homolog | / | 0.443 | |
| 4nv7 | COA | Arylamine N-acetyltransferase | / | 0.443 | |
| 1upw | 444 | Oxysterols receptor LXR-beta | / | 0.442 | |
| 3duf | R1T | Pyruvate dehydrogenase E1 component subunit alpha | 1.2.4.1 | 0.442 | |
| 3duf | R1T | Pyruvate dehydrogenase E1 component subunit beta | 1.2.4.1 | 0.442 | |
| 3up4 | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.442 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 2fy5 | SOP | Choline O-acetyltransferase | 2.3.1.6 | 0.441 | |
| 3p9t | TCL | Repressor | / | 0.441 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.441 | |
| 3vrt | YS2 | Vitamin D3 receptor | / | 0.441 | |
| 3vyd | VYD | Renin | 3.4.23.15 | 0.441 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 2a1t | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.440 | |
| 2acl | L05 | Oxysterols receptor LXR-alpha | / | 0.440 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2prh | 238 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.440 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.440 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.440 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.440 |