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 |
|---|---|---|---|
| 3lm4 | HPX | Catechol 2,3-dioxygenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3lm4 | HPX | Catechol 2,3-dioxygenase | / | 1.000 | |
| 3vg9 | ZMA | Adenosine receptor A2a | / | 0.490 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.484 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.470 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.468 | |
| 4h38 | 0YX | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.466 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.465 | |
| 3cse | N22 | Uncharacterized protein | / | 0.462 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.462 | |
| 1olm | VTQ | SEC14-like protein 2 | / | 0.457 | |
| 4lsj | LSJ | Glucocorticoid receptor | / | 0.457 | |
| 1hpz | AAP | Gag-Pol polyprotein | 2.7.7.49 | 0.456 | |
| 3rfm | CFF | Adenosine receptor A2a | / | 0.456 | |
| 2z2w | 770 | Wee1-like protein kinase | 2.7.10.2 | 0.455 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.455 | |
| 2d06 | EST | Sulfotransferase 1A1 | 2.8.2.1 | 0.454 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.453 | |
| 4equ | G6I | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.453 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.452 | |
| 3itu | IBM | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.452 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.451 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.451 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.449 | |
| 2y0j | AXC | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.446 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.446 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 5g53 | NEC | Adenosine receptor A2a | / | 0.445 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.445 | |
| 1crb | RTL | Retinol-binding protein 1 | / | 0.444 | |
| 3pn1 | IVH | DNA ligase | / | 0.444 | |
| 4eiy | ZMA | Adenosine receptor A2a | / | 0.444 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.444 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 2zym | ACX | Periplasmic binding protein | / | 0.443 | |
| 3byz | H11 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.442 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.442 | |
| 3vjc | ZGA | Squalene synthase | 2.5.1.21 | 0.442 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 3nxo | D2B | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1upw | 444 | Oxysterols receptor LXR-beta | / | 0.440 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.440 | |
| 5iu4 | ZMA | Adenosine receptor A2a | / | 0.440 |