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 |
|---|---|---|---|
| 2vss | ACO | Hydroxycinnamoyl-CoA hydratase-lyase | 4.1.2.41 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2vss | ACO | Hydroxycinnamoyl-CoA hydratase-lyase | 4.1.2.41 | 1.000 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.472 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.465 | |
| 2vf0 | F89 | Thymidylate synthase | / | 0.463 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.458 | |
| 5d7q | 4I5 | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.455 | |
| 3koo | 24D | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.453 | |
| 1s0z | EB1 | Vitamin D3 receptor | / | 0.450 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.450 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.449 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.449 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 2xvv | 9DN | Serum albumin | / | 0.449 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.449 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.448 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.448 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.448 | |
| 1rkh | VD2 | Vitamin D3 receptor | / | 0.447 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 3a78 | 3EV | Vitamin D3 receptor | / | 0.446 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.446 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.445 | |
| 4g1y | 0VO | Vitamin D3 receptor A | / | 0.445 | |
| 1dhi | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.444 | |
| 2hb8 | MVD | Vitamin D3 receptor | / | 0.443 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.443 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.442 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.442 | |
| 3vtc | TK3 | Vitamin D3 receptor | / | 0.442 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.441 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.441 | |
| 1rk3 | VDX | Vitamin D3 receptor | / | 0.440 | |
| 2hc4 | VDX | Vitamin D3 receptor A | / | 0.440 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 |