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 |
|---|---|---|---|
| 2ahc | VNL | Chorismate pyruvate-lyase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ahc | VNL | Chorismate pyruvate-lyase | / | 1.000 | |
| 1uyu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.480 | |
| 5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.479 | |
| 1yrc | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.476 | |
| 4pd6 | URI | Nucleoside permease | / | 0.476 | |
| 2qbl | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.475 | |
| 3pm0 | BHF | Cytochrome P450 1B1 | / | 0.475 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.473 | |
| 1nzf | UPG | DNA beta-glucosyltransferase | / | 0.473 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.469 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.469 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.469 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.468 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.468 | |
| 4cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.468 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.468 | |
| 2brn | DF1 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.467 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.467 | |
| 2zaw | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.466 | |
| 2zax | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.466 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.466 | |
| 4a84 | DXC | Major pollen allergen Bet v 1-A | / | 0.466 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.465 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.465 | |
| 3ut5 | LOC | Tubulin beta chain | / | 0.465 | |
| 4ddh | MS0 | Pantothenate synthetase | 6.3.2.1 | 0.464 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.463 | |
| 3cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.463 | |
| 4nak | PBQ | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic | 2.7.7.60 | 0.463 | |
| 1dz6 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.462 | |
| 2c27 | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.462 | |
| 6cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.462 | |
| 1dz4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.461 | |
| 1yrd | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.461 | |
| 4i02 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.461 | |
| 1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.460 | |
| 1noo | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.459 | |
| 2dvl | FAD | Acyl-CoA dehydrogenase | / | 0.459 | |
| 2npa | MMB | Peroxisome proliferator-activated receptor alpha | / | 0.459 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.459 | |
| 4l9q | 9TP | Serum albumin | / | 0.459 | |
| 1iwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 1x2h | LPA | Lipoate-protein ligase A | 6.3.1.20 | 0.458 | |
| 3fwf | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.458 | |
| 4l4a | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 4l4c | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.458 | |
| 2a1n | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.457 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.457 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.457 | |
| 2jds | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.456 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.456 | |
| 3n7u | NAD | Formate dehydrogenase, chloroplastic/mitochondrial | / | 0.456 | |
| 1iwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 1phe | PIY | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.454 | |
| 4iwo | 1H4 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.454 | |
| 2bxq | IMN | Serum albumin | / | 0.452 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.452 | |
| 2zui | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.452 | |
| 4qys | PLR | Tryptophan synthase beta chain 2 | 4.2.1.20 | 0.452 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 4l4e | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 4m10 | ICD | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.451 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.450 | |
| 2feu | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 3bts | NAD | Galactose/lactose metabolism regulatory protein GAL80 | / | 0.450 | |
| 3sqx | ANP | ATP-dependent RNA helicase MSS116, mitochondrial | 3.6.4.13 | 0.450 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 1zgy | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.449 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.449 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 4g3r | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 4l4b | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 1geb | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 2xf3 | J01 | Uncharacterized protein | / | 0.448 | |
| 3zxs | DLZ | Deoxyribodipyrimidine photolyase-related protein | / | 0.448 | |
| 4l4f | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.448 | |
| 2qbn | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.447 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.447 | |
| 3iqi | ASN_GLU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.447 | |
| 3lxi | CAM | Cytochrome P450 | / | 0.447 | |
| 4a87 | NAR | Major pollen allergen Bet v 1-A | / | 0.447 | |
| 4b1b | FAD | Thioredoxin reductase | 1.8.1.9 | 0.447 | |
| 1dq8 | COA | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 1.1.1.34 | 0.446 | |
| 1f8g | NAD | NAD(P) transhydrogenase subunit alpha part 1 | 1.6.1.2 | 0.446 | |
| 2cgp | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.446 | |
| 2qbo | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 2v2q | NVG | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.446 | |
| 3dv3 | MEK | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.446 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3wrm | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 4c9p | CAM | Cytochrome P450 | / | 0.446 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.446 | |
| 4y9q | C2E | Uncharacterized protein | / | 0.446 | |
| 1m9k | 7NI | Nitric oxide synthase, endothelial | 1.14.13.39 | 0.445 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 4c9o | CAM | Cytochrome P450 | / | 0.445 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1kvu | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.444 | |
| 1t2b | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.444 | |
| 1t87 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3fwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3tnl | NAD | Shikimate dehydrogenase (NADP(+)) | / | 0.444 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.443 | |
| 2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.443 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.443 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.443 | |
| 4jx1 | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4kky | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4l4d | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.443 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 1sxj | AGS | Replication factor C subunit 1 | / | 0.442 | |
| 2f7x | 4EA | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 2fzw | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.442 | |
| 3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.442 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.442 | |
| 4fw0 | 5KJ | Nitric oxide synthase, brain | 1.14.13.39 | 0.442 | |
| 4kla | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.442 | |
| 4ldk | FAD | FAD-linked sulfhydryl oxidase ALR | 1.8.3.2 | 0.442 | |
| 4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 5a3b | APR | SIR2 family protein | / | 0.442 | |
| 4ea3 | 0NN | Nociceptin receptor | / | 0.442 | |
| 1e90 | MYC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 1t86 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.441 | |
| 4l49 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 4yao | FMN | NADPH--cytochrome P450 reductase | / | 0.441 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.440 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.440 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3fwg | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 3g45 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.440 | |
| 3pjt | C2E | Diguanylate cyclase/phosphodiesterase | / | 0.440 | |
| 4dta | ADN | APH(2'')-Id | / | 0.440 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 |