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 |
|---|---|---|---|
| 4lj6 | ACP | Chaperone protein ClpB |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4lj6 | ACP | Chaperone protein ClpB | / | 1.000 | |
| 4lj8 | ADP | Chaperone protein ClpB | / | 0.531 | |
| 4lj9 | ACP | Chaperone protein ClpB | / | 0.524 | |
| 1qvr | ANP | Chaperone protein ClpB | / | 0.505 | |
| 4fd2 | ADP | Chaperone protein ClpB | / | 0.504 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
| 4fcw | ADP | Chaperone protein ClpB | / | 0.485 | |
| 3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.480 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.473 | |
| 3bgc | LJH | Gag-Pol polyprotein | 3.4.23.16 | 0.472 | |
| 3qbh | QBH | Beta-secretase 1 | 3.4.23.46 | 0.471 | |
| 1mrw | K57 | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
| 2xgs | 44P | Uncharacterized protein | / | 0.468 | |
| 2qnq | QN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
| 3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
| 2nru | T12 | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.462 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.462 | |
| 3d7k | D7K | Benzaldehyde lyase | / | 0.460 | |
| 3dk1 | G05 | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
| 4dpw | AGS | Mevalonate diphosphate decarboxylase | / | 0.460 | |
| 1bdl | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
| 4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.459 | |
| 4k9h | 1QU | Beta-secretase 1 | 3.4.23.46 | 0.458 | |
| 1msm | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.457 | |
| 1c6y | MK1 | Protease | / | 0.454 | |
| 1sgu | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
| 3duy | AFJ | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 3o9g | F53 | Gag-Pol polyprotein | / | 0.453 | |
| 1qrp | HH0 | Pepsin A-4 | 3.4.23.1 | 0.452 | |
| 3o9c | K20 | Pol polyprotein | / | 0.452 | |
| 3ohh | 3HH | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 2is0 | I03 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
| 3il1 | B5D | Glutamate receptor 2 | / | 0.451 | |
| 2bpw | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
| 2wf4 | ZY4 | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 5dp2 | NAP | CurF | / | 0.450 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.450 | |
| 1xl5 | 190 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 3g45 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
| 3mxd | K53 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 3ogq | AB1 | Pol polyprotein | / | 0.449 | |
| 2wez | ZYE | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 3lzs | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 2ntr | L00 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 2r43 | G3G | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 3bgb | LJG | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 3cib | 314 | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 1bv9 | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
| 2bb9 | AKC | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 2fdd | 385 | Pol protein | / | 0.446 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.446 | |
| 3gbu | ATP | Uncharacterized sugar kinase PH1459 | 2.7.1 | 0.446 | |
| 3oy4 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 4a4q | UX9 | Pol protein | / | 0.446 | |
| 4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 3oxv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 1bwa | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 1t7k | BH0 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.444 | |
| 2wf1 | ZY1 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 3dv1 | AR9 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4a1z | ADP | Kinesin-like protein KIF11 | / | 0.444 | |
| 4q1y | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 1d4j | MSC | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3cos | NAD | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.443 | |
| 3kdd | JZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3sa8 | K83 | Protease | / | 0.443 | |
| 4dfg | 0JV | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 4gid | 0GH | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2qd7 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2qi4 | MZ6 | Gag-Pol polyprotein | / | 0.442 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.442 | |
| 2y05 | NAP | Prostaglandin reductase 1 | / | 0.442 | |
| 3bvb | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 3vuc | HHE | Renin | 3.4.23.15 | 0.442 | |
| 1b6k | PI5 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 2avv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 2viy | VG3 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 2vj6 | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 2yq9 | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.441 | |
| 3gi5 | K62 | Gag-Pol polyprotein | / | 0.441 | |
| 3toh | 079 | Gag-Pol polyprotein | 2.7.7.49 | 0.441 | |
| 4q1w | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 1d4h | BEH | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 1hsg | MK1 | Gag-Pol polyprotein | / | 0.440 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 2qi6 | MZ8 | Gag-Pol polyprotein | / | 0.440 | |
| 3em3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.440 | |
| 3t3c | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 3ttp | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4l4x | NDP | AmphI | / | 0.440 |