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 |
|---|---|---|---|
| 2x7b | COA | N-alpha-acetyltransferase | 2.3.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2x7b | COA | N-alpha-acetyltransferase | 2.3.1 | 1.000 | |
| 4lx9 | ACO | N-alpha-acetyltransferase | 2.3.1 | 0.645 | |
| 5c88 | COA | N-alpha-acetyltransferase | / | 0.599 | |
| 4r3k | COA | N-alpha-acetyltransferase | 2.3.1 | 0.552 | |
| 1p0h | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.531 | |
| 4u9z | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.527 | |
| 3vwe | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.524 | |
| 4b5o | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.521 | |
| 2cnt | COA | Ribosomal-protein-alanine acetyltransferase | / | 0.520 | |
| 3f8k | COA | Uncharacterized protein | / | 0.518 | |
| 4hkf | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.508 | |
| 4u9y | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.508 | |
| 4b5p | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.506 | |
| 2c27 | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.504 | |
| 2cns | ACO | Ribosomal-protein-alanine acetyltransferase | / | 0.504 | |
| 4mxe | ACO | N-acetyltransferase ESCO1 | 2.3.1 | 0.496 | |
| 3mgd | ACO | Predicted acetyltransferase | / | 0.492 | |
| 1hzz | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.482 | |
| 4gs4 | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.479 | |
| 4if5 | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.479 | |
| 4ag7 | COA | Glucosamine 6-phosphate N-acetyltransferase | / | 0.478 | |
| 4lb2 | DM5 | Serum albumin | / | 0.474 | |
| 4h6z | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.470 | |
| 1s60 | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.469 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.469 | |
| 4crz | ACO | PanD regulatory factor | / | 0.469 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.467 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.465 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.465 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.465 | |
| 1pl8 | NAD | Sorbitol dehydrogenase | 1.1.1.14 | 0.464 | |
| 2cy2 | ACO | Probable acetyltransferase | / | 0.464 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.464 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.463 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.463 | |
| 4kvx | ACO | N-terminal acetyltransferase A complex catalytic subunit ard1 | 2.3.1.88 | 0.462 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.461 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.461 | |
| 3ksd | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1 | / | 0.460 | |
| 4cs0 | ACO | PanD regulatory factor | / | 0.460 | |
| 4h6u | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.460 | |
| 4jy2 | FAD | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase | / | 0.460 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.460 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.459 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.458 | |
| 1e5q | NDP | Saccharopine dehydrogenase [NADP(+), L-glutamate-forming] | 1.5.1.10 | 0.458 | |
| 2q4v | ACO | Diamine acetyltransferase 2 | 2.3.1.57 | 0.458 | |
| 2f1k | NAP | Prephenate dehydrogenase | / | 0.457 | |
| 1s5k | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.456 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.456 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.456 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.456 | |
| 1nqa | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.455 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.455 | |
| 2x0i | NAI | Malate dehydrogenase | / | 0.455 | |
| 2zdt | 46C | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.455 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.455 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.454 | |
| 4jbi | NDP | Alcohol dehydrogenase (Zinc) | / | 0.454 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.453 | |
| 1s3z | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.453 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.453 | |
| 3cif | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.453 | |
| 4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.453 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.452 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.452 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.452 | |
| 1rm4 | NDP | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic | 1.2.1.13 | 0.451 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.451 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 2v4l | ABJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.451 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.451 | |
| 4cry | ACO | PanD regulatory factor | / | 0.451 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.451 | |
| 2xh9 | J01 | Uncharacterized protein | / | 0.450 | |
| 2yww | ATP | Aspartate carbamoyltransferase regulatory chain | / | 0.450 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.449 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.449 | |
| 4guk | P2G | Neuronal calcium sensor 1 | / | 0.449 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.449 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.449 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 2rgh | FAD | Alpha-Glycerophosphate Oxidase | / | 0.448 | |
| 3cmc | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.448 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.448 | |
| 4xcv | NDP | Probable hydroxyacid dehydrogenase protein | / | 0.448 | |
| 1bwf | ATF | Glycerol kinase | / | 0.447 | |
| 1g4t | FTP | Thiamine-phosphate synthase | / | 0.447 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.447 | |
| 1osv | CHC | Bile acid receptor | / | 0.447 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.447 | |
| 2exc | JNK | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.447 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.447 | |
| 2o2u | 738 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.447 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.447 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.447 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.447 | |
| 1u28 | NAP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.446 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.446 | |
| 5kjc | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 1npt | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 2oor | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.445 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.445 | |
| 2abj | CBC | Branched-chain-amino-acid aminotransferase, cytosolic | 2.6.1.42 | 0.444 | |
| 2har | OCC | Vitamin D3 receptor | / | 0.444 | |
| 2y9q | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.444 | |
| 3lu8 | IQX | Serum albumin | / | 0.444 | |
| 3vjo | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 1n71 | COA | Aac(6')-Ii protein | / | 0.443 | |
| 2c6d | ANP | Aurora kinase A | 2.7.11.1 | 0.443 | |
| 2hc4 | VDX | Vitamin D3 receptor A | / | 0.443 | |
| 4bfs | ZVS | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 6adh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.443 | |
| 1dbv | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.442 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 2d8a | NAD | L-threonine 3-dehydrogenase | / | 0.442 | |
| 2fsv | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.442 | |
| 2hbh | XE4 | Vitamin D3 receptor A | / | 0.442 | |
| 3ls8 | AJZ | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 2.7.1.137 | 0.442 | |
| 3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.442 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.442 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.442 | |
| 5kjf | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.442 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.441 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.441 | |
| 2eq7 | NAD | Dihydrolipoyl dehydrogenase | / | 0.441 | |
| 2gcg | NDP | Glyoxylate reductase/hydroxypyruvate reductase | 1.1.1.79 | 0.441 | |
| 3oq6 | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.441 | |
| 1ewy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.440 | |
| 1g6c | IFP | Thiamine-phosphate synthase | / | 0.440 | |
| 1u8f | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.440 | |
| 1v59 | FAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.440 | |
| 2zjm | F1M | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4xd2 | NAI | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 | |
| 5kcp | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 |