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 |
|---|---|---|---|
| 1w1v | ALJ | Chitinase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1w1v | ALJ | Chitinase | / | 1.000 | |
| 3vv8 | B02 | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
| 2wjo | QUD | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
| 3rvi | RVI | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
| 3h0b | B35 | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
| 3gc4 | AAQ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.467 | |
| 4h6p | FMN | Chromate reductase | / | 0.463 | |
| 4frj | DWB | Beta-secretase 1 | 3.4.23.46 | 0.460 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.459 | |
| 1efa | NPF | Lactose operon repressor | / | 0.458 | |
| 2v2z | CDM | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.457 | |
| 3pdq | KC6 | Lysine-specific demethylase 4A | 1.14.11 | 0.457 | |
| 2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.455 | |
| 1pxg | PRF | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.452 | |
| 4c2z | 646 | Glycylpeptide N-tetradecanoyltransferase 1 | / | 0.452 | |
| 4f0r | MTA | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | / | 0.451 | |
| 2g28 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.448 | |
| 3owx | XRA | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.448 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.448 | |
| 4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.448 | |
| 1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.447 | |
| 2j7d | GI1 | Beta-glucosidase A | 3.2.1.21 | 0.447 | |
| 3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
| 1ygj | RMC | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
| 1gax | VAA | Valine--tRNA ligase | 6.1.1.9 | 0.444 | |
| 5hvn | NAD | 3-dehydroquinate synthase | / | 0.443 | |
| 2vd7 | PD2 | Lysine-specific demethylase 4A | 1.14.11 | 0.442 | |
| 4ms1 | 381 | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.442 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 3qbj | NXZ | Dipeptidyl peptidase 4 | / | 0.440 | |
| 4djv | 0KM | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.440 |