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 |
|---|---|---|---|
| 1pp9 | SMA | Cytochrome b |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1pp9 | SMA | Cytochrome b | / | 1.000 | |
| 1ppj | SMA | Cytochrome b | / | 0.661 | |
| 3h1j | SMA | Cytochrome b | / | 0.552 | |
| 3cx5 | SMA | Cytochrome b | / | 0.549 | |
| 2qjy | SMA | Cytochrome b | / | 0.532 | |
| 1kyo | SMA | Cytochrome b | / | 0.531 | |
| 1kb9 | SMA | Cytochrome b | / | 0.522 | |
| 3cxh | SMA | Cytochrome b | / | 0.522 | |
| 2yiu | SMA | Cytochrome b | / | 0.520 | |
| 1ezv | SMA | Cytochrome b | / | 0.516 | |
| 2ibz | SMA | Cytochrome b | / | 0.515 | |
| 2qjp | SMA | Cytochrome b | / | 0.505 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.493 | |
| 3dl9 | V2H | Vitamin D 25-hydroxylase | / | 0.487 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.485 | |
| 2nnh | REA | Cytochrome P450 2C8 | / | 0.473 | |
| 4ubs | DIF | Pentalenic acid synthase | 1.14.15.11 | 0.466 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.463 | |
| 2y00 | Y01 | Beta-1 adrenergic receptor | / | 0.462 | |
| 3cyl | VIT | Basic phospholipase A2 homolog piratoxin-2 | / | 0.462 | |
| 3ruk | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.460 | |
| 4aw3 | MYV | Mycinamicin IV hydroxylase/epoxidase | / | 0.460 | |
| 4klr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.458 | |
| 2hqp | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.457 | |
| 2e9c | B75 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.454 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.454 | |
| 3rr3 | FLR | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.453 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.450 | |
| 3pgq | GY3 | Acetyl-CoA carboxylase | / | 0.450 | |
| 3stx | BKA | Methylketone synthase I | / | 0.450 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.448 | |
| 3n8w | FLP | Prostaglandin G/H synthase 1 | 1.14.99.1 | 0.447 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 1ie4 | T44 | Transthyretin | / | 0.446 | |
| 2y01 | Y01 | Beta-1 adrenergic receptor | / | 0.446 | |
| 3ad9 | NAD | Subunit alpha of sarocosine oxidase | / | 0.446 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.446 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.446 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.445 | |
| 2bxe | 1FL | Serum albumin | / | 0.444 | |
| 3aba | FLI | Cytochrome P450 | / | 0.444 | |
| 3vsp | EK8 | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 2vzm | NRB | Cytochrome P450 monooxygenase PikC | / | 0.443 | |
| 2zbz | VDX | Vitamin D3 dihydroxylase | / | 0.443 | |
| 3dxj | NE6 | DNA-directed RNA polymerase subunit beta | / | 0.443 | |
| 3dxj | NE6 | DNA-directed RNA polymerase subunit beta' | / | 0.443 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.443 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 2i4j | DRJ | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.442 | |
| 3gcn | TYR_GLN_PHE | Serine endoprotease DegS | 3.4.21.107 | 0.441 | |
| 4g47 | TZF | Mycocyclosin synthase | 1.14.21.9 | 0.441 | |
| 3rfm | CFF | Adenosine receptor A2a | / | 0.441 | |
| 2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.440 | |
| 3dho | B2M | Streptogramin A acetyltransferase | 2.3.1 | 0.440 | |
| 3k1w | BFX | Renin | 3.4.23.15 | 0.440 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.440 |