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 |
|---|---|---|---|
| 5fwn | NAP | Putative dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5fwn | NAP | Putative dehydrogenase | / | 1.000 | |
| 5a9s | NAP | Putative dehydrogenase | / | 0.616 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.504 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.504 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.486 | |
| 2fy4 | COA | Choline O-acetyltransferase | 2.3.1.6 | 0.483 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.481 | |
| 3d4p | NAD | L-lactate dehydrogenase 1 | 1.1.1.27 | 0.480 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.480 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.480 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.478 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.477 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.476 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.475 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.473 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.473 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.473 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.471 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.470 | |
| 4bgi | I4I | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.470 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.468 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.468 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.467 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.466 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.466 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.465 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.464 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.463 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.462 | |
| 1rj6 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.461 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.461 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.460 | |
| 4gav | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.460 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.459 | |
| 3tvu | B37 | Acetyl-CoA carboxylase | / | 0.459 | |
| 4bii | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.459 | |
| 4hbm | 0Y7 | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.459 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.458 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.458 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.457 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.457 | |
| 2qa2 | FAD | Polyketide oxygenase CabE | / | 0.456 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.456 | |
| 3ieu | GDP | GTPase Era | / | 0.456 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.456 | |
| 3tz3 | B36 | Acetyl-CoA carboxylase | / | 0.455 | |
| 4g6g | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.455 | |
| 1noo | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 1udb | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.454 | |
| 1yrc | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.454 | |
| 4zow | CLM | Multidrug transporter MdfA | / | 0.454 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.453 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.453 | |
| 3fwg | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.453 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.453 | |
| 4g9k | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.453 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.452 | |
| 4k28 | NAD | Shikimate dehydrogenase family protein | / | 0.452 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.451 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.451 | |
| 1dyh | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1pjc | NAD | Alanine dehydrogenase | / | 0.450 | |
| 1xny | BTN | Propionyl-CoA carboxylase complex B subunit | / | 0.450 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.450 | |
| 1kvs | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.449 | |
| 3pgq | GY3 | Acetyl-CoA carboxylase | / | 0.449 | |
| 4a28 | ADP | Kinesin-like protein KIF11 | / | 0.449 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 4rlh | 0WE | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.449 | |
| 5eai | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.449 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.448 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.448 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.448 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.448 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.448 | |
| 1k7l | 544 | Peroxisome proliferator-activated receptor alpha | / | 0.447 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.447 | |
| 3l63 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 4i1i | NAD | Malate dehydrogenase | / | 0.447 | |
| 1a9y | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.446 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.446 | |
| 2dvl | FAD | Acyl-CoA dehydrogenase | / | 0.446 | |
| 2vxo | XMP | GMP synthase [glutamine-hydrolyzing] | 6.3.5.2 | 0.446 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.446 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.446 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.445 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.445 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.445 | |
| 3nd1 | SAH | Precorrin-6A synthase (Deacetylating) | / | 0.445 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 3oqf | S51 | Renin | 3.4.23.15 | 0.445 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.444 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.444 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 3oet | NAD | Erythronate-4-phosphate dehydrogenase | / | 0.444 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.444 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.444 | |
| 4ktk | KTK | Cytochrome P450 | / | 0.444 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.444 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 2ath | 3EA | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 3bhe | BZN | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.443 | |
| 4ejg | NCT | Cytochrome P450 2A13 | 1.14.14.1 | 0.443 | |
| 4lrz | ADP | PEP-dependent dihydroxyacetone kinase, ADP-binding subunit DhaL | 2.7 | 0.443 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.443 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.442 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.442 | |
| 2rh9 | IGP | Tryptophan synthase alpha chain | / | 0.442 | |
| 3k3b | ADP | Kinesin-like protein KIF11 | / | 0.442 | |
| 3nbv | ANP | Ketohexokinase | / | 0.442 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.442 | |
| 3te5 | NAI | 5'-AMP-activated protein kinase subunit gamma | / | 0.442 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.442 | |
| 3wrh | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.442 | |
| 5hbr | COA | Acyl-CoA synthetase (NDP forming) | / | 0.442 | |
| 1a9z | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.441 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.441 | |
| 1t86 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1xel | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.441 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.441 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.441 | |
| 2npa | MMB | Peroxisome proliferator-activated receptor alpha | / | 0.441 | |
| 2vht | ATP | NTPase P4 | / | 0.441 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.441 | |
| 3fwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3gob | HXX | DdmC | / | 0.441 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.441 | |
| 3nut | SAH | Precorrin-3 methylase | / | 0.441 | |
| 4g74 | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.441 | |
| 1aj8 | COA | Citrate synthase | / | 0.440 | |
| 1dxq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.440 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 | |
| 1t87 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 1yrd | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.440 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.440 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.440 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 |