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 |
|---|---|---|---|
| 4c72 | TLG | 3-oxoacyl-ACP synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4c72 | TLG | 3-oxoacyl-ACP synthase | / | 1.000 | |
| 4c73 | TLH | 3-oxoacyl-ACP synthase | / | 0.806 | |
| 4c6z | TLE | 3-oxoacyl-ACP synthase | / | 0.690 | |
| 4c71 | 7RD | 3-oxoacyl-ACP synthase | / | 0.598 | |
| 2aq7 | TL5 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.582 | |
| 3i8p | 840 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.579 | |
| 2aqb | TL6 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.573 | |
| 3g0y | P9A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.560 | |
| 4f32 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | / | 0.558 | |
| 3g11 | P9C | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.554 | |
| 2vb8 | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.544 | |
| 3ho9 | N3A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.543 | |
| 3hnz | PMN | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.541 | |
| 2wge | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.534 | |
| 2wgg | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.534 | |
| 4jv3 | N32 | Beta-ketoacyl synthase | / | 0.530 | |
| 2gfx | PMN | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.521 | |
| 4c6u | TLG | 3-oxoacyl-ACP synthase | / | 0.515 | |
| 1k7l | 544 | Peroxisome proliferator-activated receptor alpha | / | 0.461 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 2xhd | 7T9 | Glutamate receptor 2 | / | 0.457 | |
| 1llu | NAD | Alcohol dehydrogenase | / | 0.456 | |
| 5a88 | ADP | Riboflavin biosynthesis protein RibF | 2.7.1.26 | 0.456 | |
| 3ho2 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.455 | |
| 1cju | FOK | Adenylate cyclase type 2 | / | 0.454 | |
| 1cju | FOK | Adenylate cyclase type 5 | / | 0.454 | |
| 3vye | VYE | Renin | 3.4.23.15 | 0.454 | |
| 5doz | NDP | JamJ | / | 0.454 | |
| 5dp2 | NAP | CurF | / | 0.451 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.450 | |
| 2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.449 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.446 | |
| 1i7g | AZ2 | Peroxisome proliferator-activated receptor alpha | / | 0.445 | |
| 3phj | DHK | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 1mue | CDD | Prothrombin | 3.4.21.5 | 0.444 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.444 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.443 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.443 | |
| 1r2j | FAD | FkbI | / | 0.443 | |
| 2zgx | 29U | Prothrombin | 3.4.21.5 | 0.442 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.442 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.441 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.440 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.440 |