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 |
|---|---|---|---|
| 1buc | FAD | Acyl-CoA dehydrogenase, short-chain specific | 1.3.8.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1buc | FAD | Acyl-CoA dehydrogenase, short-chain specific | 1.3.8.1 | 1.000 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.587 | |
| 3djl | FAD | Putative acyl-CoA dehydrogenase AidB | 1.3.99 | 0.492 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.484 | |
| 2vrb | NAP | Triphenylmethane reductase | / | 0.474 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.474 | |
| 2gvc | FAD | Thiol-specific monooxygenase | 1.14.13 | 0.472 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.471 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.471 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.470 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.469 | |
| 2zb4 | 5OP | Prostaglandin reductase 2 | 1.3.1.48 | 0.468 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.468 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.467 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.466 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.463 | |
| 1zid | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.462 | |
| 1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.461 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.459 | |
| 2i9p | NAD | 3-hydroxyisobutyrate dehydrogenase, mitochondrial | 1.1.1.31 | 0.458 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.458 | |
| 1xds | DRA | Aclacinomycin 10-hydroxylase RdmB | 4.1.1 | 0.457 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.456 | |
| 1rx5 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3upk | UD1 | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.456 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.455 | |
| 2z2w | 770 | Wee1-like protein kinase | 2.7.10.2 | 0.454 | |
| 4qys | PLR | Tryptophan synthase beta chain 2 | 4.2.1.20 | 0.454 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.453 | |
| 3wsb | RWZ | Farnesyltransferase, putative | / | 0.453 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.453 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.453 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.453 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.453 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.452 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.451 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.448 | |
| 4m0l | GDP | Translation initiation factor 2 subunit gamma | / | 0.448 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.448 | |
| 4v2g | ITC | Tetracycline repressor protein class D | / | 0.448 | |
| 2x9d | ITC | Tetracycline repressor protein class D | / | 0.447 | |
| 1t0i | FMN | NAD(P)H-dependent FMN reductase LOT6 | / | 0.446 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.446 | |
| 4zas | TYD | CalS13 | / | 0.446 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 3atz | FMN | Prostaglandin F2a synthase | / | 0.445 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 2gpj | FAD | Siderophore-interacting protein | / | 0.444 | |
| 2lfo | GCH | Fatty acid-binding protein, liver | / | 0.444 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.443 | |
| 3vjc | ZGA | Squalene synthase | 2.5.1.21 | 0.443 | |
| 3wv9 | FEG | Hmd co-occurring protein HcgE | / | 0.443 | |
| 4bb5 | HD2 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 1xdu | SFG | Aclacinomycin 10-hydroxylase RdmB | 4.1.1 | 0.442 | |
| 2in6 | 839 | Wee1-like protein kinase | 2.7.10.2 | 0.442 | |
| 2o7o | DXT | Tetracycline repressor protein class D | / | 0.442 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.442 | |
| 2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.442 | |
| 4wo5 | 324 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.442 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
| 2har | OCC | Vitamin D3 receptor | / | 0.441 | |
| 2wue | KEK | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | 3.7.1.17 | 0.441 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.441 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 4kwi | 1TJ | Reductase homolog | / | 0.441 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.440 |