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 |
|---|---|---|---|
| 4g8b | HL6 | Alpha/beta hydrolase fold protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4g8b | HL6 | Alpha/beta hydrolase fold protein | / | 1.000 | |
| 4g8c | C6L | Alpha/beta hydrolase fold protein | / | 0.561 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.486 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.477 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.474 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.473 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.473 | |
| 1rkg | VD1 | Vitamin D3 receptor | / | 0.469 | |
| 2has | C3O | Vitamin D3 receptor | / | 0.467 | |
| 3vt4 | 5YI | Vitamin D3 receptor | / | 0.467 | |
| 4gev | CB3 | Thymidylate synthase | / | 0.466 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.465 | |
| 2zl9 | VDA | Vitamin D3 receptor | / | 0.465 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.465 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.464 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.463 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.462 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.462 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.460 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.459 | |
| 1upw | 444 | Oxysterols receptor LXR-beta | / | 0.458 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.457 | |
| 4itf | TFY | Vitamin D3 receptor | / | 0.457 | |
| 3vrv | YSD | Vitamin D3 receptor | / | 0.456 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2bxo | OPB | Serum albumin | / | 0.455 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.454 | |
| 2o4r | VD5 | Vitamin D3 receptor | / | 0.453 | |
| 1fml | RTL | Retinol dehydratase | / | 0.452 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.452 | |
| 4ruj | VDX | Vitamin D3 receptor A | / | 0.452 | |
| 1ie9 | VDX | Vitamin D3 receptor | / | 0.451 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.451 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.450 | |
| 1soj | IBM | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.450 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.450 | |
| 3w5r | LOA | Vitamin D3 receptor | / | 0.450 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.449 | |
| 3w0h | W12 | Vitamin D3 receptor | / | 0.449 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.448 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.448 | |
| 2zlc | VDX | Vitamin D3 receptor | / | 0.448 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.448 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 3vtb | TKA | Vitamin D3 receptor | / | 0.446 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3w0a | DS5 | Vitamin D3 receptor | / | 0.445 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.444 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.444 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.444 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1rjk | VDZ | Vitamin D3 receptor | / | 0.443 | |
| 2hc4 | VDX | Vitamin D3 receptor A | / | 0.443 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.443 | |
| 2ovy | PFJ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 3djl | FAD | Putative acyl-CoA dehydrogenase AidB | 1.3.99 | 0.443 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.443 | |
| 3w0i | O11 | Vitamin D3 receptor | / | 0.443 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.443 | |
| 1db1 | VDX | Vitamin D3 receptor | / | 0.442 | |
| 1rkh | VD2 | Vitamin D3 receptor | / | 0.442 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.442 | |
| 4x7u | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.442 | |
| 4ea3 | 0NN | Nociceptin receptor | / | 0.442 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.441 | |
| 2gvc | FAD | Thiol-specific monooxygenase | 1.14.13 | 0.441 | |
| 3bi6 | 396 | Wee1-like protein kinase | 2.7.10.2 | 0.441 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.441 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 3vru | YS3 | Vitamin D3 receptor | / | 0.440 | |
| 4g20 | 484 | Vitamin D3 receptor A | / | 0.440 |