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 |
|---|---|---|---|
| 4opl | FDA | Conserved Archaeal protein |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4opl | FDA | Conserved Archaeal protein | / | 1.000 | |
| 4opi | FDA | Conserved Archaeal protein | / | 0.746 | |
| 4opu | FDA | Conserved Archaeal protein | / | 0.658 | |
| 4opg | FDA | Conserved Archaeal protein | / | 0.655 | |
| 2j5x | GSP | ADP-ribosylation factor 6 | / | 0.479 | |
| 3c3e | GDP | 2-phospho-L-lactate transferase | / | 0.470 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 2zz0 | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.469 | |
| 1kfb | IGP | Tryptophan synthase alpha chain | / | 0.463 | |
| 4eak | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.463 | |
| 1k8y | 13P | Tryptophan synthase alpha chain | / | 0.462 | |
| 2ylz | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.461 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.460 | |
| 3ijd | C2F | Methylenetetrahydrofolate reductase | / | 0.460 | |
| 2hrc | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.458 | |
| 2gmj | FAD | Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial | 1.5.5.1 | 0.457 | |
| 2ww4 | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 2.7.1.148 | 0.457 | |
| 4kla | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.457 | |
| 4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.457 | |
| 2ylx | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.455 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.455 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.455 | |
| 3phi | NDP | Shikimate dehydrogenase (NADP(+)) | / | 0.454 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.454 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.454 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.453 | |
| 2v9j | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.453 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.453 | |
| 2yvj | NAI | Ferredoxin reductase | / | 0.452 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.451 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.450 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.450 | |
| 2nni | MTK | Cytochrome P450 2C8 | / | 0.449 | |
| 4ng5 | PFB | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.449 | |
| 4u8i | FDA | UDP-galactopyranose mutase | / | 0.449 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.448 | |
| 2dki | FAD | 3-hydroxybenzoate 4-monooxygenase | 1.14.13.23 | 0.448 | |
| 3ad9 | NAD | Subunit alpha of sarocosine oxidase | / | 0.448 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.448 | |
| 4fdn | FAD | Decaprenylphosphoryl-beta-D-ribose oxidase | / | 0.448 | |
| 4pkh | ADP | Actin, alpha skeletal muscle | / | 0.448 | |
| 1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.447 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.447 | |
| 3d91 | REM | Renin | 3.4.23.15 | 0.447 | |
| 3kfr | 3TL | Gag-Pol polyprotein | / | 0.447 | |
| 3qd4 | 3Q6 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.447 | |
| 4ntd | FAD | Thioredoxin reductase | / | 0.447 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.447 | |
| 2qbu | SAH | Precorrin-2 methyltransferase | / | 0.446 | |
| 2rab | FAD | Glutathione amide reductase | / | 0.446 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.445 | |
| 3enk | UPG | UDP-glucose 4-epimerase | / | 0.445 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.444 | |
| 2ylr | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.444 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.443 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 1y7l | ASN_LEU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.443 | |
| 1zdw | FLV | Prenyltransferase | / | 0.443 | |
| 2clf | F6F | Tryptophan synthase alpha chain | / | 0.443 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.443 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.443 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.443 | |
| 2i4z | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 4d03 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.443 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2g1o | 2IG | Renin | 3.4.23.15 | 0.442 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.442 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.442 | |
| 4l8u | 9AZ | Serum albumin | / | 0.442 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.441 | |
| 2pg0 | FAD | Acyl-CoA dehydrogenase | / | 0.441 | |
| 3e8n | VRA | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.441 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.441 | |
| 1f0x | FAD | D-lactate dehydrogenase | 1.1.1.28 | 0.440 | |
| 1ii6 | ADP | Kinesin-like protein KIF11 | / | 0.440 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.440 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.440 | |
| 2fto | CB3 | Thymidylate synthase | / | 0.440 | |
| 2g22 | 6IG | Renin | 3.4.23.15 | 0.440 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.440 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.440 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.440 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.440 |