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 |
|---|---|---|---|
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 1.000 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.591 | |
| 1pzg | A3D | Lactate dehydrogenase | / | 0.590 | |
| 1pzf | A3D | Lactate dehydrogenase | / | 0.589 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.578 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.555 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.539 | |
| 4wlu | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.539 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.532 | |
| 5mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.528 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.517 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.512 | |
| 1ie3 | NAD | Malate dehydrogenase | / | 0.510 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.503 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.495 | |
| 4ajo | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.491 | |
| 4al4 | W7E | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.486 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.482 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.475 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.461 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.461 | |
| 1pzh | NAD | Lactate dehydrogenase | / | 0.460 | |
| 1hyh | NAD | L-2-hydroxyisocaproate dehydrogenase | / | 0.456 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.456 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.455 | |
| 4l4s | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.455 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.454 | |
| 2vhv | NAI | Alanine dehydrogenase | 1.4.1.1 | 0.452 | |
| 4xgi | NAD | Glutamate dehydrogenase | / | 0.452 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.451 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.451 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.450 | |
| 2fze | APR | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.449 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.448 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.446 | |
| 2vhx | NAD | Alanine dehydrogenase | 1.4.1.1 | 0.446 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.446 | |
| 3qvx | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.444 | |
| 4okn | NAI | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.444 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.443 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.443 | |
| 3ggp | NAD | Prephenate dehydrogenase | / | 0.443 | |
| 4gkv | NAD | Alcohol dehydrogenase, propanol-preferring | 1.1.1.1 | 0.443 | |
| 4w6z | 8ID | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.443 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.442 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.442 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.441 | |
| 4ge7 | 0K5 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.441 | |
| 1adc | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 |