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 |
|---|---|---|---|
| 2ydo | ADN | Adenosine receptor A2a |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ydo | ADN | Adenosine receptor A2a | / | 1.000 | |
| 2ydv | NEC | Adenosine receptor A2a | / | 0.655 | |
| 4uhr | NGI | Adenosine receptor A2a | / | 0.600 | |
| 4ug2 | NGI | Adenosine receptor A2a | / | 0.572 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.559 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.556 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.552 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.549 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.545 | |
| 5iu8 | 6DZ | Adenosine receptor A2a | / | 0.544 | |
| 5iua | 6DX | Adenosine receptor A2a | / | 0.536 | |
| 5iu4 | ZMA | Adenosine receptor A2a | / | 0.529 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.529 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.525 | |
| 5g53 | NEC | Adenosine receptor A2a | / | 0.519 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.506 | |
| 4eiy | ZMA | Adenosine receptor A2a | / | 0.490 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.471 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.468 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.466 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.463 | |
| 2i9p | NAD | 3-hydroxyisobutyrate dehydrogenase, mitochondrial | 1.1.1.31 | 0.462 | |
| 3oez | STI | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.459 | |
| 3qak | UKA | Adenosine receptor A2a | / | 0.458 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.457 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.455 | |
| 1osv | CHC | Bile acid receptor | / | 0.454 | |
| 1l2j | ETC | Estrogen receptor beta | / | 0.453 | |
| 2qd5 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.453 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.451 | |
| 2j3i | NAP | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.450 | |
| 4l0q | NAD | Alcohol dehydrogenase class-3 | / | 0.450 | |
| 3vg9 | ZMA | Adenosine receptor A2a | / | 0.448 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.448 | |
| 2w98 | P1Z | Prostaglandin reductase 2 | 1.3.1.48 | 0.447 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.447 | |
| 2aib | ERG | Beta-elicitin cinnamomin | / | 0.446 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.446 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.446 | |
| 1y5r | C0R | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.445 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.445 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 3uza | T4G | Adenosine receptor A2a | / | 0.444 | |
| 2j9l | ATP | H(+)/Cl(-) exchange transporter 5 | / | 0.443 | |
| 2pl0 | STI | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.443 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 3ctj | 320 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.442 | |
| 3nx4 | NAP | Putative oxidoreductase | / | 0.441 | |
| 3ule | C69 | Actin-related protein 3 | / | 0.440 | |
| 5dp2 | NAP | CurF | / | 0.440 |