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 |
|---|---|---|---|
| 3lsy | FT0 | Enoyl-ACP reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3lsy | FT0 | Enoyl-ACP reductase | / | 1.000 | |
| 3lt2 | FT3 | Enoyl-ACP reductase | / | 0.671 | |
| 4ige | CHJ | Enoyl-acyl carrier reductase | / | 0.657 | |
| 3lt1 | FT2 | Enoyl-ACP reductase | / | 0.641 | |
| 1zsn | TN2 | Enoyl-ACP reductase | / | 0.635 | |
| 3am4 | FT1 | Enoyl-ACP reductase | / | 0.625 | |
| 2o2y | TCL | Enoyl-ACP reductase | / | 0.617 | |
| 1uh5 | TCL | Enoyl-ACP reductase | / | 0.608 | |
| 3am3 | TCL | Enoyl-ACP reductase | / | 0.608 | |
| 1nhg | TCL | Enoyl-ACP reductase | / | 0.605 | |
| 1nnu | TCT | Enoyl-ACP reductase | / | 0.605 | |
| 2o2s | TCL | Enoyl-acyl carrier reductase | / | 0.604 | |
| 1nhw | TCC | Enoyl-ACP reductase | / | 0.582 | |
| 3am5 | TCL | Enoyl-ACP reductase | / | 0.582 | |
| 1zw1 | TN5 | Enoyl-ACP reductase | / | 0.562 | |
| 1zxl | JP1 | Enoyl-ACP reductase | / | 0.561 | |
| 2foi | JPA | Enoyl-acyl carrier reductase | / | 0.560 | |
| 2op0 | 7PC | Enoyl-ACP reductase | / | 0.559 | |
| 3f4b | TCL | Enoyl-acyl carrier protein reductase | / | 0.557 | |
| 3fnh | JPJ | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.555 | |
| 3nj8 | NJ8 | Enoyl-acyl carrier reductase | / | 0.535 | |
| 3uic | 09T | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.535 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.528 | |
| 5coq | TCU | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.521 | |
| 5cp8 | TCU | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.519 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.506 | |
| 3nrc | TCL | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.502 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.496 | |
| 1vrw | NAI | Enoyl-ACP reductase | / | 0.495 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.484 | |
| 5kf8 | ACO | Predicted acetyltransferase | / | 0.484 | |
| 3mdm | FJZ | Cholesterol 24-hydroxylase | / | 0.481 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.481 | |
| 1noo | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.478 | |
| 4tzk | 641 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.475 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.474 | |
| 2nsd | 4PI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.472 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.471 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.471 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.470 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.469 | |
| 5e5h | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.469 | |
| 3vtd | TKD | Vitamin D3 receptor | / | 0.468 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.467 | |
| 1eio | GCH | Gastrotropin | / | 0.466 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.466 | |
| 4trj | 665 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.466 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.466 | |
| 2ieb | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.464 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.464 | |
| 3d5f | L41 | Peroxisome proliferator-activated receptor delta | / | 0.463 | |
| 4ly9 | 1YY | Glucokinase regulatory protein | / | 0.463 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.463 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.462 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.461 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.460 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.459 | |
| 4enh | FVX | Cholesterol 24-hydroxylase | / | 0.459 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.458 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.457 | |
| 1ppj | ANY | Cytochrome b | / | 0.457 | |
| 2ntv | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.457 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.457 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.457 | |
| 5kje | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.457 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.456 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.456 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.456 | |
| 5kgp | ACO | Predicted acetyltransferase | / | 0.456 | |
| 4lb2 | DM5 | Serum albumin | / | 0.455 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.454 | |
| 2zl9 | VDA | Vitamin D3 receptor | / | 0.454 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2zla | VDB | Vitamin D3 receptor | / | 0.453 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.453 | |
| 3wrl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.453 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.453 | |
| 4w6z | 8ID | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.453 | |
| 2bx8 | AZQ | Serum albumin | / | 0.452 | |
| 4a84 | DXC | Major pollen allergen Bet v 1-A | / | 0.452 | |
| 4yp5 | NAP | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.452 | |
| 5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 1dz8 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.451 | |
| 2a1n | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.451 | |
| 3fwg | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.451 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.450 | |
| 3lpf | Z77 | Beta-glucuronidase | 3.2.1.31 | 0.450 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.450 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.450 | |
| 5kf2 | ACO | Predicted acetyltransferase | / | 0.450 | |
| 5kf9 | ACO | Predicted acetyltransferase | / | 0.450 | |
| 1e5q | NDP | Saccharopine dehydrogenase [NADP(+), L-glutamate-forming] | 1.5.1.10 | 0.449 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.449 | |
| 3bpt | QUE | 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial | 3.1.2.4 | 0.449 | |
| 3il5 | B82 | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.449 | |
| 4yp7 | NAP | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.449 | |
| 1err | RAL | Estrogen receptor | / | 0.448 | |
| 1knu | YPA | Peroxisome proliferator-activated receptor gamma | / | 0.448 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.448 | |
| 1gzu | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1 | 2.7.7.1 | 0.447 | |
| 1osv | CHC | Bile acid receptor | / | 0.447 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.447 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 2a1m | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2ol4 | JPN | Enoyl-ACP reductase | / | 0.447 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.447 | |
| 3w5t | LHP | Vitamin D3 receptor | / | 0.447 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.447 | |
| 4gyy | 12V | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.447 | |
| 4ure | 1PS | Cyclohexanol dehydrogenase | / | 0.447 | |
| 5es7 | FON | Linear gramicidin synthase subunit A | / | 0.447 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.446 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.446 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 4epq | 0RR | Poly(ADP-ribose) glycohydrolase | / | 0.446 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.446 | |
| 4tvb | NAD | Homospermidine synthase | 2.5.1.44 | 0.446 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1aiq | CB3 | Thymidylate synthase | / | 0.445 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.445 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4a80 | 2AN | Major pollen allergen Bet v 1-A | / | 0.445 | |
| 5kgj | ACO | Predicted acetyltransferase | / | 0.445 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.444 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.443 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 3c0i | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.443 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4b4o | NDP | Epimerase family protein SDR39U1 | / | 0.443 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 1pox | FAD | Pyruvate oxidase | 1.2.3.3 | 0.442 | |
| 2gu8 | 796 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.442 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.442 | |
| 3w0h | W12 | Vitamin D3 receptor | / | 0.442 | |
| 4l9q | 9TP | Serum albumin | / | 0.442 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.442 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.442 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.442 | |
| 2tsc | CB3 | Thymidylate synthase | / | 0.441 | |
| 2x23 | TCU | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 3a6q | FMN | FMN-binding protein | / | 0.441 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.441 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.441 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.440 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 2q5o | PPY | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.440 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 2wpx | ACO | Orf14 | / | 0.440 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.440 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.440 | |
| 3v2u | ATP | Protein GAL3 | / | 0.440 | |
| 4c04 | SFG | Protein arginine N-methyltransferase 6 | / | 0.440 | |
| 4ek1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 4fhh | 0U3 | Vitamin D3 receptor A | / | 0.440 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.440 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.440 |