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 |
|---|---|---|---|
| 1n3r | GTP | GTP cyclohydrolase 1 | 3.5.4.16 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1n3r | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 1.000 | |
| 1a8r | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.596 | |
| 1a9c | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.508 | |
| 3nr4 | PYV | Abscisic acid receptor PYL2 | / | 0.481 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.469 | |
| 4s0v | SUV | Orexin receptor type 2 | / | 0.469 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.467 | |
| 1j0x | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.463 | |
| 1jpa | ANP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.459 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.458 | |
| 4gyz | D5M | Tyrosyl-DNA phosphodiesterase 2 | 3.1.4 | 0.458 | |
| 4pzr | COA | Histone acetyltransferase p300 | / | 0.456 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.455 | |
| 4du6 | GTP | GTP cyclohydrolase 1 | / | 0.454 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.453 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.452 | |
| 1bxo | PP7 | Penicillopepsin-1 | 3.4.23.20 | 0.451 | |
| 3dys | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 2z1m | NDP | GDP-mannose 4,6-dehydratase | / | 0.449 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.449 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.448 | |
| 1lny | IMO | Adenylosuccinate synthetase isozyme 1 | / | 0.448 | |
| 2d4v | NAD | Isocitrate dehydrogenase [NADP] | / | 0.448 | |
| 2wqp | WQP | Polysialic acid capsule biosynthesis protein SiaC | / | 0.448 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
| 4u0m | GTP | Cyclic GMP-AMP synthase | / | 0.448 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.447 | |
| 5a3c | NAD | SIR2 family protein | / | 0.447 | |
| 2bxm | IMN | Serum albumin | / | 0.446 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 4i0b | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.446 | |
| 4xgi | NAD | Glutamate dehydrogenase | / | 0.446 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.445 | |
| 4umx | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.445 | |
| 5cvc | PLP | Serine racemase | / | 0.445 | |
| 1c9k | 5GP | Bifunctional adenosylcobalamin biosynthesis protein CobU | / | 0.444 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.444 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.443 | |
| 2vtt | LZD | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
| 2xvu | 9DN | Serum albumin | / | 0.443 | |
| 4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3aty | FMN | Prostaglandin F2a synthase | / | 0.442 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.442 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.442 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 2xvv | 9DN | Serum albumin | / | 0.441 | |
| 2zaw | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3hx4 | ANP | Calmodulin-domain protein kinase 1 | / | 0.441 | |
| 4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.441 | |
| 1u3d | FAD | Cryptochrome-1 | / | 0.440 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.440 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.440 | |
| 3eof | FMN | Putative oxidase | / | 0.440 | |
| 4dja | FAD | (6-4) photolyase | / | 0.440 | |
| 4eji | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.440 | |
| 4iae | 1DX | Alr2278 protein | / | 0.440 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.440 |