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 |
|---|---|---|---|
| 4lvg | 20O | Nicotinamide phosphoribosyltransferase | 2.4.2.12 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4lvg | 20O | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 1.000 | |
| 4kfn | 1QR | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.826 | |
| 4kfo | 1QS | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.802 | |
| 4jnm | 1LJ | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.766 | |
| 4kfp | 1R7 | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.671 | |
| 4m6p | 20R | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.610 | |
| 3g8e | IS1 | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.607 | |
| 4m6q | 20T | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.597 | |
| 2g97 | DGB | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.583 | |
| 4o1b | DGB | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.582 | |
| 4jr5 | 1LS | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.562 | |
| 4lva | 20M | Nicotinamide phosphoribosyltransferase | 2.4.2.12 | 0.562 | |
| 2vr1 | ATF | Biotin carboxylase | 6.3.4.14 | 0.463 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 2y4g | TIR | TamL | / | 0.457 | |
| 3zuy | TCH | Transporter | / | 0.457 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.456 | |
| 4bqp | VMY | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3p84 | FMN | Pentaerythritol tetranitrate reductase | / | 0.455 | |
| 4z0h | NAD | Glyceraldehyde-3-phosphate dehydrogenase GAPC1, cytosolic | 1.2.1.12 | 0.454 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
| 3c0i | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.453 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 2bxq | IMN | Serum albumin | / | 0.452 | |
| 2ww4 | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 2.7.1.148 | 0.452 | |
| 2y3r | TRK | TamL | / | 0.452 | |
| 3frq | ERY | Erythromycin resistance repressor protein | / | 0.452 | |
| 4j1t | NAD | NAD/NADP transhydrogenase alpha subunit 1 | / | 0.452 | |
| 2ghm | LIC | Mitogen-activated protein kinase 14 | / | 0.451 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 1um0 | FMN | Chorismate synthase | / | 0.450 | |
| 2cx8 | SAH | Ribosomal RNA small subunit methyltransferase E | / | 0.450 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.450 | |
| 4nvk | 2NY | Peroxidase | / | 0.450 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.449 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 1w06 | W05 | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 3cvu | FAD | RE11660p | / | 0.448 | |
| 2uag | UMA | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.447 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.447 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.446 | |
| 3tea | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.445 | |
| 4g2g | TDH | Mycocyclosin synthase | 1.14.21.9 | 0.445 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 2y3r | TIR | TamL | / | 0.444 | |
| 3b9l | AZZ | Serum albumin | / | 0.443 | |
| 4fhd | 0TT | Spore photoproduct lyase | / | 0.443 | |
| 4rh1 | 0TT | Spore photoproduct lyase | / | 0.443 | |
| 5ajq | DB8 | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.443 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.442 | |
| 1rbm | KT5 | Trifunctional purine biosynthetic protein adenosine-3 | 2.1.2.2 | 0.442 | |
| 3icr | COA | Coenzyme A disulfide reductase | / | 0.442 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1msn | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 2zpa | ACO | tRNA(Met) cytidine acetyltransferase TmcA | / | 0.441 | |
| 3csd | EMO | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4c3y | ANB | 3-ketosteroid dehydrogenase | / | 0.441 | |
| 1l8q | ADP | Chromosomal replication initiator protein DnaA | / | 0.440 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 4e4q | RRH | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.440 |