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 |
|---|---|---|---|
| 3i8p | 840 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3i8p | 840 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 1.000 | |
| 3hnz | PMN | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.609 | |
| 3g11 | P9C | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.593 | |
| 3g0y | P9A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.566 | |
| 4c72 | TLG | 3-oxoacyl-ACP synthase | / | 0.556 | |
| 3ho2 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.552 | |
| 2gfx | PMN | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.550 | |
| 2vb8 | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.548 | |
| 4f32 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | / | 0.542 | |
| 2aqb | TL6 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.537 | |
| 2aq7 | TL5 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.529 | |
| 4c71 | 7RD | 3-oxoacyl-ACP synthase | / | 0.529 | |
| 4c73 | TLH | 3-oxoacyl-ACP synthase | / | 0.522 | |
| 4c6z | TLE | 3-oxoacyl-ACP synthase | / | 0.498 | |
| 4jv3 | N32 | Beta-ketoacyl synthase | / | 0.487 | |
| 2ejz | SAH | Diphthine synthase | / | 0.480 | |
| 4c6u | TLG | 3-oxoacyl-ACP synthase | / | 0.479 | |
| 2wge | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.459 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.458 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.458 | |
| 3iqi | ASN_GLU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.457 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.454 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.453 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.453 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.451 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.450 | |
| 2xpw | OTC | Tetracycline repressor protein class D | / | 0.449 | |
| 1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.448 | |
| 2ed3 | SAH | Diphthine synthase | / | 0.448 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.447 | |
| 2vpr | TDC | Tetracycline repressor protein class H | / | 0.447 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.446 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.444 | |
| 3iqh | TYR_ASP_ILE | Cysteine synthase | 2.5.1.47 | 0.444 | |
| 2fj1 | CTC | Tetracycline repressor protein class D | / | 0.443 | |
| 4bkq | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.443 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.443 | |
| 2xlr | FAD | Putative flavin-containing monooxygenase | / | 0.442 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.442 | |
| 4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.442 | |
| 4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 1k7f | IAV | Tryptophan synthase alpha chain | / | 0.441 | |
| 2a1h | GBN | Branched-chain-amino-acid aminotransferase, mitochondrial | 2.6.1.42 | 0.441 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.441 | |
| 3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 5dp2 | NAP | CurF | / | 0.441 | |
| 1hyg | NAP | L-2-hydroxycarboxylate dehydrogenase (NAD(P)(+)) | / | 0.440 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.440 | |
| 2eni | SAH | Diphthine synthase | / | 0.440 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.440 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.440 | |
| 4b3a | TAC | Tetracycline repressor protein class D | / | 0.440 |