sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 3i9j | NFD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3i9j | NFD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 1.000 | |
| 3zwo | G2Q | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.580 | |
| 3zwx | AV1 | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.539 | |
| 3i9k | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.534 | |
| 3p5s | AVU | CD38 molecule | / | 0.493 | |
| 2hct | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.484 | |
| 3cui | X4S | Exoglucanase/xylanase | 3.2.1.91 | 0.476 | |
| 3dzk | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.471 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.467 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.465 | |
| 3iu9 | T07 | Methionine aminopeptidase 2 | / | 0.464 | |
| 2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.463 | |
| 3ghh | 2NF | CD38 molecule | / | 0.461 | |
| 3dzj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.458 | |
| 2oat | PFM | Ornithine aminotransferase, mitochondrial | 2.6.1.13 | 0.457 | |
| 2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.456 | |
| 2j7d | GI1 | Beta-glucosidase A | 3.2.1.21 | 0.453 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2b8j | ADN | Class B acid phosphatase | 3.1.3.2 | 0.448 | |
| 4xp4 | COC | Sodium-dependent dopamine transporter | / | 0.448 | |
| 1e1f | PSG | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.447 | |
| 3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.447 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.446 | |
| 1isj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | 3.2.2.6 | 0.445 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.444 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.444 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.444 | |
| 2bd0 | BIO | Sepiapterin reductase | / | 0.443 | |
| 2y04 | 68H | Beta-1 adrenergic receptor | / | 0.443 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.442 | |
| 3jsx | CC2 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 4tnz | TTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.440 |