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 |
|---|---|---|---|
| 2hct | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2hct | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 1.000 | |
| 3dzj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.518 | |
| 2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.496 | |
| 4rel | KMP | Glycosyltransferase | / | 0.491 | |
| 1xzq | FON | tRNA modification GTPase MnmE | 3.6.5 | 0.474 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.474 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.469 | |
| 1fw0 | KAI | Glutamate receptor 2 | / | 0.467 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.463 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.463 | |
| 4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.463 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.463 | |
| 2isc | 223 | Purine nucleoside phosphorylase, putative | / | 0.460 | |
| 4dlc | UMP | Deoxyuridine triphosphatase, putative | / | 0.460 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.459 | |
| 1ygj | RMC | Pyridoxal kinase | 2.7.1.35 | 0.458 | |
| 3x2f | NAI | Adenosylhomocysteinase | / | 0.457 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 4dkb | DUN | Deoxyuridine triphosphatase, putative | / | 0.454 | |
| 3vmm | P0D | Alanine--anticapsin ligase | / | 0.453 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.453 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.453 | |
| 1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.452 | |
| 1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.452 | |
| 4mr9 | 2BX | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.451 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.450 | |
| 4fwe | FAD | Lysine-specific histone demethylase 1B | 1 | 0.450 | |
| 1h83 | FAD | Polyamine oxidase | 1.5.3.14 | 0.448 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.448 | |
| 2yg3 | FAD | Putrescine oxidase | / | 0.448 | |
| 2zu9 | GDP | Mannosyl-3-phosphoglycerate synthase | 2.4.1.217 | 0.448 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.447 | |
| 3zj7 | C1K | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.447 | |
| 4py0 | 6AT | P2Y purinoceptor 12 | / | 0.447 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.446 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
| 3ebi | BEY | M1 family aminopeptidase | 3.4.11 | 0.444 | |
| 2yay | DUP | DUTPase | / | 0.443 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 3i9k | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.443 | |
| 3b7d | CNI | Glutamate receptor 2 | / | 0.442 | |
| 3caq | NDP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 4gut | FAD | Lysine-specific histone demethylase 1B | 1 | 0.442 | |
| 4j52 | 1J3 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.442 | |
| 4m0c | FMN | FMN-dependent NADH-azoreductase 1 | / | 0.442 | |
| 4c6z | TLE | 3-oxoacyl-ACP synthase | / | 0.441 | |
| 4f7i | NAD | 3-isopropylmalate dehydrogenase | 1.1.1.85 | 0.440 |