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 |
|---|---|---|---|
| 1ej2 | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ej2 | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 1.000 | |
| 1m8j | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.625 | |
| 1m8g | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.583 | |
| 1r6u | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.485 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.476 | |
| 3kt3 | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.475 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.473 | |
| 1yid | ATP | Tryptophan--tRNA ligase 2 | 6.1.1.2 | 0.467 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.465 | |
| 2vtd | LKM | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.458 | |
| 3zhq | TPP | Multifunctional 2-oxoglutarate metabolism enzyme | 1.2.4.2 | 0.457 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.457 | |
| 2d8a | NAD | L-threonine 3-dehydrogenase | / | 0.456 | |
| 3ibq | ATP | Pyridoxal kinase | / | 0.454 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.454 | |
| 4k36 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.454 | |
| 4m49 | 22Y | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.454 | |
| 1nuq | NXX | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.453 | |
| 3kt8 | LTN | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.453 | |
| 1rfv | ADP | Pyridoxal kinase | 2.7.1.35 | 0.452 | |
| 1zdw | FLV | Prenyltransferase | / | 0.452 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.451 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.450 | |
| 2zse | ACP | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 3rq8 | AP5 | ADP-dependent (S)-NAD(P)H-hydrate dehydratase | / | 0.450 | |
| 1n2i | PAJ | Pantothenate synthetase | 6.3.2.1 | 0.449 | |
| 1vbi | NAD | Malate/L-lactate dehydrogenase family protein | / | 0.449 | |
| 2zsb | ADP | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.448 | |
| 3v1y | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1, cytosolic | 1.2.1.12 | 0.448 | |
| 4yek | THM | Thymidine phosphorylase | / | 0.448 | |
| 1wng | SAH | Diphthine synthase | / | 0.447 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.447 | |
| 1vsv | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.445 | |
| 2wqp | WQP | Polysialic acid capsule biosynthesis protein SiaC | / | 0.444 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 2egb | SAH | Diphthine synthase | / | 0.443 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 3phj | DHK | Shikimate dehydrogenase (NADP(+)) | / | 0.443 | |
| 1n1d | C2G | Glycerol-3-phosphate cytidylyltransferase | 2.7.7.39 | 0.442 | |
| 3isj | A8D | Pantothenate synthetase | 6.3.2.1 | 0.442 | |
| 3oet | NAD | Erythronate-4-phosphate dehydrogenase | / | 0.442 | |
| 3u9e | COA | Lmo1369 protein | / | 0.442 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.441 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.441 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.441 | |
| 4b4w | 9L9 | Bifunctional protein FolD | / | 0.441 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.440 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.440 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.440 |