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 |
|---|---|---|---|
| 3gts | D3M | DdmC |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3gts | D3M | DdmC | / | 1.000 | |
| 3gl2 | D3M | DdmC | / | 0.604 | |
| 3gb4 | D3M | DdmC | / | 0.562 | |
| 4iae | 1DX | Alr2278 protein | / | 0.475 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.468 | |
| 4iah | 1DX | Alr2278 protein | / | 0.466 | |
| 3gob | HXX | DdmC | / | 0.461 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.459 | |
| 1zdw | FLV | Prenyltransferase | / | 0.458 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.458 | |
| 3dm6 | 757 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.455 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.455 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.455 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.453 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 4wh2 | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.452 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.451 | |
| 3hky | IX6 | Genome polyprotein | 2.7.7.48 | 0.449 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.449 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.448 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.448 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.448 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.447 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.447 | |
| 3anm | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.447 | |
| 4cf7 | ADP | Adenylate kinase | / | 0.447 | |
| 5dp2 | NAP | CurF | / | 0.447 | |
| 1mrw | K57 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.446 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.446 | |
| 4ejn | 0R4 | RAC-alpha serine/threonine-protein kinase | 2.7.11.1 | 0.446 | |
| 1yhj | R6C | Pyridoxal kinase | 2.7.1.35 | 0.445 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.445 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.444 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.444 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
| 1fy7 | COA | Histone acetyltransferase ESA1 | / | 0.443 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.443 | |
| 2c12 | FAD | Nitroalkane oxidase | 1.7.3.1 | 0.442 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.442 | |
| 4ynt | FDA | Glucose oxidase, putative | / | 0.442 | |
| 3up5 | NAP | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.441 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.441 | |
| 1vfr | FMN | Major NAD(P)H-flavin oxidoreductase | 1.6.99 | 0.440 | |
| 2dvl | FAD | Acyl-CoA dehydrogenase | / | 0.440 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.440 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.440 |