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 |
|---|---|---|---|
| 3qh2 | 3NM | Thiazole tautomerase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3qh2 | 3NM | Thiazole tautomerase | / | 1.000 | |
| 2tps | TPS | Thiamine-phosphate synthase | / | 0.480 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.479 | |
| 2ok7 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.476 | |
| 2xpw | OTC | Tetracycline repressor protein class D | / | 0.475 | |
| 5cvc | PLP | Serine racemase | / | 0.468 | |
| 5iw5 | NMN | NADH pyrophosphatase | / | 0.468 | |
| 2gmv | PEP | Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | 4.1.1.32 | 0.467 | |
| 1nm1 | ATP | Major actin | / | 0.466 | |
| 2bmb | PMM | Folic acid synthesis protein FOL1 | / | 0.466 | |
| 3sjz | GNP | Translation initiation factor 2 subunit gamma | / | 0.465 | |
| 2o7o | DXT | Tetracycline repressor protein class D | / | 0.464 | |
| 1n0h | CIE | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.463 | |
| 2trt | TAC | Tetracycline repressor protein class D | / | 0.463 | |
| 5ify | UMP | Glucose-1-phosphate thymidylyltransferase | / | 0.463 | |
| 1lny | IMO | Adenylosuccinate synthetase isozyme 1 | / | 0.462 | |
| 4g1y | 0VO | Vitamin D3 receptor A | / | 0.462 | |
| 1g67 | TZP | Thiamine-phosphate synthase | / | 0.461 | |
| 4jey | PLP | Acetylornithine/succinyldiaminopimelate aminotransferase | 2.6.1.11 | 0.461 | |
| 4d7m | TDC | Tetracycline repressor protein class D | / | 0.460 | |
| 1nlv | ATP | Major actin | / | 0.458 | |
| 3giy | FMN | (S)-mandelate dehydrogenase | 1.1.99.31 | 0.458 | |
| 3tx1 | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.456 | |
| 3o15 | 3NM | Thiamine-phosphate synthase | / | 0.455 | |
| 4m55 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.455 | |
| 1t9a | 1TB | Acetolactate synthase catalytic subunit, mitochondrial | 2.2.1.6 | 0.454 | |
| 1x28 | PGU | Aspartate aminotransferase | 2.6.1.1 | 0.454 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 2e1z | B4P | Propionate kinase | / | 0.453 | |
| 2zse | ACP | Pantothenate kinase | 2.7.1.33 | 0.453 | |
| 3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.453 | |
| 2pmd | GNP | Translation initiation factor 2 subunit gamma | / | 0.451 | |
| 2xpv | MIY | Tetracycline repressor protein class D | / | 0.451 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.451 | |
| 2get | COK | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 4nwi | CTN | 7-methylguanosine phosphate-specific 5'-nucleotidase | / | 0.450 | |
| 4h6r | FDA | Proline dehydrogenase | / | 0.449 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.449 | |
| 2hq9 | FAD | Mll6688 protein | / | 0.448 | |
| 3av7 | KYA | Uncharacterized protein | / | 0.448 | |
| 4fm8 | 0UQ | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 4a6r | TA8 | Probable aminotransferase | / | 0.447 | |
| 4hmv | WUB | Phenazine biosynthesis protein PhzG | 1.4 | 0.447 | |
| 4oag | ADP | Mitochondrial dynamics protein MID51 | / | 0.447 | |
| 5cku | NAP | L-ornithine N(5)-monooxygenase | / | 0.447 | |
| 1eji | THF | Serine hydroxymethyltransferase, cytosolic | / | 0.446 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.446 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.446 | |
| 1f4f | TP3 | Thymidylate synthase | / | 0.445 | |
| 2fto | CB3 | Thymidylate synthase | / | 0.445 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.445 | |
| 4l1f | COS | Acyl-CoA dehydrogenase domain protein | / | 0.445 | |
| 1qo8 | FAD | Fumarate reductase flavoprotein subunit | / | 0.444 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.444 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.444 | |
| 4v2g | ITC | Tetracycline repressor protein class D | / | 0.444 | |
| 2a5h | SAM | L-lysine 2,3-aminomutase | 5.4.3.2 | 0.443 | |
| 2e20 | B4P | Propionate kinase | / | 0.443 | |
| 3dds | 26B | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.443 | |
| 5fkm | TDC | Tetracycline repressor protein class D | / | 0.443 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.442 | |
| 2bpo | NAP | NADPH--cytochrome P450 reductase | / | 0.442 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.442 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.441 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 1vbi | NAD | Malate/L-lactate dehydrogenase family protein | / | 0.440 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.440 | |
| 4bfy | ZVY | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 5a88 | ADP | Riboflavin biosynthesis protein RibF | 2.7.1.26 | 0.440 |