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 |
|---|---|---|---|
| 4eiy | ZMA | Adenosine receptor A2a |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4eiy | ZMA | Adenosine receptor A2a | / | 1.000 | |
| 5iua | 6DX | Adenosine receptor A2a | / | 0.741 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.680 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.672 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.654 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.649 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.648 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.645 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.639 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.636 | |
| 5iu4 | ZMA | Adenosine receptor A2a | / | 0.635 | |
| 5iu8 | 6DZ | Adenosine receptor A2a | / | 0.560 | |
| 2ydv | NEC | Adenosine receptor A2a | / | 0.511 | |
| 3vg9 | ZMA | Adenosine receptor A2a | / | 0.508 | |
| 5g53 | NEC | Adenosine receptor A2a | / | 0.500 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.499 | |
| 4ug2 | NGI | Adenosine receptor A2a | / | 0.491 | |
| 4uhr | NGI | Adenosine receptor A2a | / | 0.487 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.477 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.476 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.471 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.468 | |
| 1s0z | EB1 | Vitamin D3 receptor | / | 0.465 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.465 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.465 | |
| 1so2 | 666 | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.464 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.463 | |
| 2pmd | GNP | Translation initiation factor 2 subunit gamma | / | 0.462 | |
| 1tw2 | ERT | Carminomycin 4-O-methyltransferase DnrK | 2.1.1.292 | 0.461 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.460 | |
| 3qak | UKA | Adenosine receptor A2a | / | 0.460 | |
| 3rey | XAC | Adenosine receptor A2a | / | 0.457 | |
| 3uza | T4G | Adenosine receptor A2a | / | 0.457 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.455 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.455 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.455 | |
| 7cat | NDP | Catalase | 1.11.1.6 | 0.455 | |
| 2hb8 | MVD | Vitamin D3 receptor | / | 0.452 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.452 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.451 | |
| 4fhi | 0S4 | Vitamin D3 receptor A | / | 0.451 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.451 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.449 | |
| 3w0h | W12 | Vitamin D3 receptor | / | 0.449 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.448 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.447 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.447 | |
| 2o4r | VD5 | Vitamin D3 receptor | / | 0.447 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.446 | |
| 4ajf | F03 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.445 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.444 | |
| 2zl9 | VDA | Vitamin D3 receptor | / | 0.444 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.444 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.444 | |
| 3vt4 | 5YI | Vitamin D3 receptor | / | 0.444 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.444 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.444 | |
| 5dcy | NAP | Iridoid synthase | 1.3.1.99 | 0.444 | |
| 2wot | ZZG | TGF-beta receptor type-1 | 2.7.11.30 | 0.443 | |
| 3apf | BMW | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 3d7k | D7K | Benzaldehyde lyase | / | 0.443 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.442 | |
| 3iae | D7K | Benzaldehyde lyase | / | 0.442 | |
| 3w5p | 4OA | Vitamin D3 receptor | / | 0.442 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.441 | |
| 2bxo | OPB | Serum albumin | / | 0.440 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.440 |