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 |
|---|---|---|---|
| 4ajn | 88V | L-lactate dehydrogenase A chain | 1.1.1.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ajn | 88V | L-lactate dehydrogenase A chain | 1.1.1.27 | 1.000 | |
| 4ajj | 88R | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.651 | |
| 4ajo | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.565 | |
| 2x0i | NAI | Malate dehydrogenase | / | 0.522 | |
| 3h3f | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.516 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.507 | |
| 1hyg | NAP | L-2-hydroxycarboxylate dehydrogenase (NAD(P)(+)) | / | 0.503 | |
| 1t2c | NAI | L-lactate dehydrogenase | 1.1.1.27 | 0.500 | |
| 3h3j | NAD | L-lactate dehydrogenase 1 | 1.1.1.27 | 0.499 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.495 | |
| 1ez4 | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.486 | |
| 4ros | APR | Malate dehydrogenase | / | 0.486 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.484 | |
| 4l4s | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.482 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.481 | |
| 4i8x | 6P3 | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.480 | |
| 1pzf | A3D | Lactate dehydrogenase | / | 0.477 | |
| 4nd3 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.477 | |
| 4jnk | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.475 | |
| 1pzh | NAD | Lactate dehydrogenase | / | 0.474 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.474 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.467 | |
| 3gvh | NAD | Malate dehydrogenase | / | 0.466 | |
| 1ie3 | NAD | Malate dehydrogenase | / | 0.462 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.462 | |
| 2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.460 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.459 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.459 | |
| 2d8a | NAD | L-threonine 3-dehydrogenase | / | 0.458 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.457 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.457 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.456 | |
| 4e2b | FMN | Dehydrogenase | / | 0.456 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.455 | |
| 4jic | FMN | GTN Reductase | / | 0.454 | |
| 1ib6 | NAD | Malate dehydrogenase | / | 0.453 | |
| 1uxj | NAD | Malate dehydrogenase | / | 0.453 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.453 | |
| 1nzf | UPG | DNA beta-glucosyltransferase | / | 0.451 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 2x0r | NAD | Malate dehydrogenase | / | 0.450 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.450 | |
| 5a3b | APR | SIR2 family protein | / | 0.450 | |
| 1yon | A2R | 2-dehydropantoate 2-reductase | 1.1.1.169 | 0.449 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.448 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.447 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.446 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.446 | |
| 4rlh | 0WE | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.446 | |
| 1emd | NAD | Malate dehydrogenase | / | 0.445 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.445 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 3pqf | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.445 | |
| 4l4f | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.445 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 2q5g | 1FA | Peroxisome proliferator-activated receptor delta | / | 0.444 | |
| 4die | C5P | Cytidylate kinase | / | 0.444 | |
| 4nxw | ADP | Mitochondrial dynamics protein MID51 | / | 0.444 | |
| 1gpd | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.443 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.443 | |
| 3bv2 | P38 | Mitogen-activated protein kinase 14 | / | 0.443 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.443 | |
| 4l4x | NDP | AmphI | / | 0.443 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.442 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 1b8v | NAD | Malate dehydrogenase | / | 0.441 | |
| 1u5a | BIK | L-lactate dehydrogenase | 1.1.1.27 | 0.441 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.441 | |
| 2xvv | 9DN | Serum albumin | / | 0.441 | |
| 3tri | NAP | Pyrroline-5-carboxylate reductase | / | 0.441 | |
| 1a59 | COA | 2-methylcitrate synthase | / | 0.440 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.440 |