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 |
|---|---|---|---|
| 4n1g | CEI | Obelin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4n1g | CEI | Obelin | / | 1.000 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.472 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.466 | |
| 4iae | 1DX | Alr2278 protein | / | 0.466 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.464 | |
| 5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.460 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.458 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.457 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.457 | |
| 2xiq | 5AD | Methylmalonyl-CoA mutase, mitochondrial | / | 0.457 | |
| 3jsi | WTC | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.456 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.454 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
| 3dyq | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
| 1beu | IPL | Tryptophan synthase alpha chain | / | 0.451 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.450 | |
| 2jl1 | NAP | Triphenylmethane reductase | / | 0.450 | |
| 3elm | 24F | Collagenase 3 | 3.4.24 | 0.450 | |
| 4i52 | 1HA | 1,4-dihydroxy-2-naphthoyl-CoA synthase | / | 0.450 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.450 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.449 | |
| 3ha5 | SFG | Hydroxymycolate synthase MmaA4 | 2.1.1 | 0.449 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
| 4o70 | 1QK | Bromodomain-containing protein 4 | / | 0.449 | |
| 3l6j | Z90 | Alr2278 protein | / | 0.448 | |
| 3qi4 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 3wag | TYD | Glycosyltransferase | / | 0.448 | |
| 4ri1 | ACO | UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase | 2.3.1.202 | 0.448 | |
| 1fml | RTL | Retinol dehydratase | / | 0.447 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 1piw | NAP | NADP-dependent alcohol dehydrogenase 6 | 1.1.1.2 | 0.447 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 4req | 5AD | Methylmalonyl-CoA mutase large subunit | 5.4.99.2 | 0.447 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.446 | |
| 1g63 | FMN | Epidermin decarboxylase | 4.1.1 | 0.445 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.445 | |
| 3zbs | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.445 | |
| 4iah | 1DX | Alr2278 protein | / | 0.445 | |
| 4l1x | NAP | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.445 | |
| 1gw2 | FER | Peroxidase C1A | 1.11.1.7 | 0.444 | |
| 1mrq | STR | Aldo-keto reductase family 1 member C1 | / | 0.444 | |
| 1s36 | CEI | Obelin | / | 0.444 | |
| 3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.444 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.442 | |
| 2v13 | C40 | Renin | 3.4.23.15 | 0.442 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4jlm | 1NN | Deoxycytidine kinase | 2.7.1.74 | 0.442 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2a0x | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.440 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.440 |