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 |
|---|---|---|---|
| 3am5 | TCL | Enoyl-ACP reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3am5 | TCL | Enoyl-ACP reductase | / | 1.000 | |
| 3lt2 | FT3 | Enoyl-ACP reductase | / | 0.644 | |
| 1uh5 | TCL | Enoyl-ACP reductase | / | 0.629 | |
| 3am4 | FT1 | Enoyl-ACP reductase | / | 0.608 | |
| 1nhg | TCL | Enoyl-ACP reductase | / | 0.604 | |
| 3lsy | FT0 | Enoyl-ACP reductase | / | 0.583 | |
| 2o2s | TCL | Enoyl-acyl carrier reductase | / | 0.581 | |
| 2o2y | TCL | Enoyl-ACP reductase | / | 0.577 | |
| 3f4b | TCL | Enoyl-acyl carrier protein reductase | / | 0.575 | |
| 1nhw | TCC | Enoyl-ACP reductase | / | 0.565 | |
| 1zw1 | TN5 | Enoyl-ACP reductase | / | 0.563 | |
| 3nj8 | NJ8 | Enoyl-acyl carrier reductase | / | 0.546 | |
| 1nnu | TCT | Enoyl-ACP reductase | / | 0.543 | |
| 1zxl | JP1 | Enoyl-ACP reductase | / | 0.538 | |
| 3uic | 09T | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.526 | |
| 1zsn | TN2 | Enoyl-ACP reductase | / | 0.525 | |
| 5cp8 | TCU | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.525 | |
| 5coq | TCU | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.494 | |
| 3fnh | JPJ | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.490 | |
| 3ruk | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.479 | |
| 2foi | JPA | Enoyl-acyl carrier reductase | / | 0.477 | |
| 3nrc | TCL | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.472 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.472 | |
| 1geb | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.470 | |
| 3am3 | TCL | Enoyl-ACP reductase | / | 0.469 | |
| 2zb8 | IMN | Prostaglandin reductase 2 | 1.3.1.48 | 0.466 | |
| 3iw1 | ASD | Steroid C26-monooxygenase | 1.14.13.141 | 0.466 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.466 | |
| 1ppj | ANY | Cytochrome b | / | 0.465 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.465 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.463 | |
| 4b8w | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.461 | |
| 1osv | CHC | Bile acid receptor | / | 0.460 | |
| 2nsd | 4PI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.460 | |
| 2cib | CM6 | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.459 | |
| 1tj0 | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.458 | |
| 2ydv | NEC | Adenosine receptor A2a | / | 0.457 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.457 | |
| 3vt3 | VDX | Vitamin D3 receptor | / | 0.457 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.456 | |
| 4tzk | 641 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 4yp7 | NAP | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.456 | |
| 1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
| 2a1m | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.455 | |
| 2hej | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.455 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.455 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.454 | |
| 1pow | FAD | Pyruvate oxidase | 1.2.3.3 | 0.454 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.454 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.454 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.453 | |
| 3i59 | N6R | CRP-like cAMP-activated global transcriptional regulator | / | 0.452 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.452 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.452 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.452 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.451 | |
| 2op0 | 7PC | Enoyl-ACP reductase | / | 0.451 | |
| 5env | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.451 | |
| 1cx2 | S58 | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.450 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.450 | |
| 2g78 | REA | Cellular retinoic acid-binding protein 2 | / | 0.449 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.449 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.449 | |
| 1o8c | NDP | Probable acrylyl-CoA reductase AcuI | 1.3.1.84 | 0.448 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.448 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.448 | |
| 4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.448 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.448 | |
| 1llu | NAD | Alcohol dehydrogenase | / | 0.447 | |
| 2wet | FAD | Tryptophan 5-halogenase | / | 0.447 | |
| 4iwv | 1J9 | Glucokinase | 2.7.1.2 | 0.447 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.446 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 1w2x | RCP | Acetyl-CoA carboxylase | / | 0.446 | |
| 3qtu | X44 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 3r6s | CMP | CRP-like cAMP-activated global transcriptional regulator | / | 0.446 | |
| 4eu5 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.446 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.445 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 1qvu | PRL | HTH-type transcriptional regulator QacR | / | 0.445 | |
| 2pmd | GNP | Translation initiation factor 2 subunit gamma | / | 0.445 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.445 | |
| 4mlp | 2CX | Cryptochrome-2 | / | 0.445 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 2c0o | L2G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.444 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.444 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.444 | |
| 3kdu | NKS | Peroxisome proliferator-activated receptor alpha | / | 0.444 | |
| 4rvu | NDP | Probable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) | / | 0.444 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.444 | |
| 1u30 | GOX | Pancreatic alpha-amylase | / | 0.443 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.443 | |
| 3pm0 | BHF | Cytochrome P450 1B1 | / | 0.443 | |
| 3sz0 | FAD | Sulfide-quinone reductase | / | 0.443 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.443 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.443 | |
| 1p93 | DEX | Glucocorticoid receptor | / | 0.442 | |
| 1tl7 | FOK | Adenylate cyclase type 2 | / | 0.442 | |
| 1tl7 | FOK | Adenylate cyclase type 5 | / | 0.442 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.442 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.442 | |
| 2p5n | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.442 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.442 | |
| 2ym1 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.442 | |
| 3hub | 469 | Mitogen-activated protein kinase 14 | / | 0.442 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.442 | |
| 4nmd | FDA | Bifunctional protein PutA | / | 0.442 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 1cbs | REA | Cellular retinoic acid-binding protein 2 | / | 0.441 | |
| 1phh | FAD | p-hydroxybenzoate hydroxylase | / | 0.441 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1y5r | C0R | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.441 | |
| 2aib | ERG | Beta-elicitin cinnamomin | / | 0.441 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.441 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.441 | |
| 3t99 | ADP | Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 | / | 0.441 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.441 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.441 | |
| 4trj | 665 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 4xo7 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.441 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1y4l | SVR | Basic phospholipase A2 homolog 2 | / | 0.440 | |
| 2hc4 | VDX | Vitamin D3 receptor A | / | 0.440 | |
| 2i4z | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.440 | |
| 3nfa | CBJ | Gag-Pol polyprotein | / | 0.440 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.440 |