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 |
|---|---|---|---|
| 3cv6 | HXS | Aldo-keto reductase family 1 member C21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3cv6 | HXS | Aldo-keto reductase family 1 member C21 | / | 1.000 | |
| 4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.496 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.483 | |
| 3uzx | AOM | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.474 | |
| 3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.467 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.467 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.465 | |
| 1dr4 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 2z52 | H23 | Geranylgeranyl pyrophosphate synthase | / | 0.463 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.462 | |
| 4jtr | IZP | Aldo-keto reductase family 1 member C2 | / | 0.462 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.459 | |
| 1lke | DOG | Bilin-binding protein | / | 0.458 | |
| 2ipj | FFA | Aldo-keto reductase family 1 member C2 | / | 0.458 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.458 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 4jq3 | ZOM | Aldo-keto reductase family 1 member C2 | / | 0.457 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.456 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.455 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.455 | |
| 2xeg | CI9 | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.454 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.454 | |
| 4p9d | TMP | Deoxycytidylate deaminase | / | 0.454 | |
| 1pq6 | 965 | Oxysterols receptor LXR-beta | / | 0.453 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.453 | |
| 2a2s | GSN | Glutathione S-transferase P | 2.5.1.18 | 0.453 | |
| 2gyu | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
| 2vr1 | ATF | Biotin carboxylase | 6.3.4.14 | 0.453 | |
| 3uzx | AOX | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.453 | |
| 4l1x | NAP | Aldo-keto reductase family 1 member C2 | / | 0.453 | |
| 3ug8 | IMN | Aldo-keto reductase family 1 member C3 | / | 0.452 | |
| 1umc | TDP | 2-oxoisovalerate dehydrogenase subunit alpha | 1.2.4.4 | 0.451 | |
| 1umc | TDP | 2-oxoisovalerate dehydrogenase subunit beta | 1.2.4.4 | 0.451 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.451 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.450 | |
| 3r8h | ZOM | Aldo-keto reductase family 1 member C3 | / | 0.450 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.450 | |
| 1gw2 | FER | Peroxidase C1A | 1.11.1.7 | 0.449 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2aj4 | ANP | Galactokinase | 2.7.1.6 | 0.448 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.448 | |
| 2xei | ARK | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.448 | |
| 4hyf | 1AK | Tankyrase-2 | 2.4.2.30 | 0.448 | |
| 2yne | YNE | Glycylpeptide N-tetradecanoyltransferase | / | 0.447 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.447 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.446 | |
| 1t7o | 152 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.446 | |
| 1u08 | PLP | Methionine aminotransferase | / | 0.446 | |
| 2wwj | Y28 | Lysine-specific demethylase 4A | / | 0.446 | |
| 2yg5 | FAD | Putrescine oxidase | / | 0.446 | |
| 2ycy | P32 | Beta-1 adrenergic receptor | / | 0.446 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.445 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 4c2z | 646 | Glycylpeptide N-tetradecanoyltransferase 1 | / | 0.445 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3gx9 | TXD | Morphinone reductase | / | 0.444 | |
| 3ugr | IMN | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.444 | |
| 4bfs | ZVS | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 4psb | GA3 | Cytokinin-specific binding protein | / | 0.444 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.443 | |
| 4bjc | RPB | Tankyrase-2 | 2.4.2.30 | 0.443 | |
| 4c71 | 7RD | 3-oxoacyl-ACP synthase | / | 0.443 | |
| 4jt9 | 1NS | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.443 | |
| 1d3p | BT3 | Prothrombin | 3.4.21.5 | 0.442 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2ipi | AKY | Aclacinomycin-N/aclacinomycin-A oxidase | / | 0.442 | |
| 2wnb | C5P | CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 | 2.4.99.4 | 0.442 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.442 | |
| 1ni1 | HFP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.441 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 4j8t | DOG | Uncharacterized PhzA/B-like protein PA3332 | / | 0.441 | |
| 4jtr | IBP | Aldo-keto reductase family 1 member C2 | / | 0.441 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.440 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.440 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 |