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 |
|---|---|---|---|
| 1dkf | BMS | Retinoic acid receptor alpha |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1dkf | BMS | Retinoic acid receptor alpha | / | 1.000 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.498 | |
| 2zbz | VDX | Vitamin D3 dihydroxylase | / | 0.493 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.482 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.473 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.467 | |
| 2i4z | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.465 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.464 | |
| 3p6o | ETG | Camphor 5-monooxygenase | 1.14.15.1 | 0.464 | |
| 3vs7 | KS1 | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.464 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.463 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.462 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.460 | |
| 1osv | CHC | Bile acid receptor | / | 0.459 | |
| 4lb2 | DM5 | Serum albumin | / | 0.459 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.458 | |
| 3qlf | PD5 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.457 | |
| 3tea | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.455 | |
| 2om9 | AJA | Peroxisome proliferator-activated receptor gamma | / | 0.454 | |
| 3o8t | BMU | Mitogen-activated protein kinase 14 | / | 0.454 | |
| 3r37 | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.454 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.454 | |
| 3r35 | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.453 | |
| 1hzz | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.451 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.451 | |
| 5eai | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.450 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.448 | |
| 3bfb | 9OD | Pheromone-binding protein ASP1 | / | 0.448 | |
| 3r34 | COA | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.448 | |
| 3ua5 | 06X | Cytochrome P450 2B6 | 1.14.13 | 0.448 | |
| 3vso | EK1 | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 4hnc | 0UT | Mandelate racemase | / | 0.448 | |
| 4nxv | GDP | Mitochondrial dynamics protein MID51 | / | 0.448 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2i4j | DRJ | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 3vs6 | VSH | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.447 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.447 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 3a4o | STU | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.446 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.446 | |
| 3l8p | 0CE | Angiopoietin-1 receptor | 2.7.10.1 | 0.445 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.445 | |
| 1tdu | CB3 | Thymidylate synthase | / | 0.444 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.444 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 1llq | NAD | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.442 | |
| 2hy8 | 1ST | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.442 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.442 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.442 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.441 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.441 | |
| 3g5s | FAD | Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO | / | 0.441 | |
| 3lu8 | IQX | Serum albumin | / | 0.441 | |
| 3zux | TCH | Transporter | / | 0.441 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.441 | |
| 4hw3 | 19G | Induced myeloid leukemia cell differentiation protein Mcl-1 | / | 0.441 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.441 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.440 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
| 4b7s | QLE | Cytochrome P450 monooxygenase PikC | / | 0.440 | |
| 4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.440 |