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 |
|---|---|---|---|
| 5ca1 | NZO | Tubulin beta-2 chain |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5ca1 | NZO | Tubulin beta-2 chain | / | 1.000 | |
| 1i7g | AZ2 | Peroxisome proliferator-activated receptor alpha | / | 0.502 | |
| 2znn | S44 | Peroxisome proliferator-activated receptor alpha | / | 0.492 | |
| 4ge7 | 0K5 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.492 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.477 | |
| 3t2z | FAD | Sulfide-quinone reductase | / | 0.477 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.476 | |
| 2znq | 401 | Peroxisome proliferator-activated receptor delta | / | 0.476 | |
| 2i4p | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.475 | |
| 1y0s | 331 | Peroxisome proliferator-activated receptor delta | / | 0.474 | |
| 2ca0 | PXI | Cytochrome P450 monooxygenase PikC | / | 0.474 | |
| 3sp9 | IL2 | Peroxisome proliferator-activated receptor delta | / | 0.474 | |
| 1zeo | C01 | Peroxisome proliferator-activated receptor gamma | / | 0.473 | |
| 3vjh | J35 | Peroxisome proliferator-activated receptor gamma | / | 0.473 | |
| 3vt4 | 5YI | Vitamin D3 receptor | / | 0.471 | |
| 2ww4 | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 2.7.1.148 | 0.469 | |
| 3t2k | FAD | Sulfide-quinone reductase | / | 0.468 | |
| 2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.467 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.465 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.464 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.463 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.463 | |
| 3il1 | B5D | Glutamate receptor 2 | / | 0.462 | |
| 3pgq | GY3 | Acetyl-CoA carboxylase | / | 0.462 | |
| 3zux | TCH | Transporter | / | 0.462 | |
| 1rek | B8L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.460 | |
| 2i4j | DRJ | Peroxisome proliferator-activated receptor gamma | / | 0.459 | |
| 2w4i | VGA | Glutamate racemase | / | 0.459 | |
| 4xuh | SFI | Peroxisome proliferator-activated receptor gamma | / | 0.459 | |
| 1k7l | 544 | Peroxisome proliferator-activated receptor alpha | / | 0.458 | |
| 3mvq | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.458 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.458 | |
| 1guf | NDP | Enoyl-[acyl-carrier-protein] reductase 1, mitochondrial | 1.3.1.10 | 0.455 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.454 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.454 | |
| 2zbz | VDX | Vitamin D3 dihydroxylase | / | 0.454 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.454 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.454 | |
| 1ie4 | T44 | Transthyretin | / | 0.453 | |
| 1jio | DEB | 6-deoxyerythronolide B hydroxylase | / | 0.453 | |
| 1rdt | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.452 | |
| 4bcr | WY1 | Peroxisome proliferator-activated receptor alpha | / | 0.452 | |
| 1fm6 | BRL | Peroxisome proliferator-activated receptor gamma | / | 0.451 | |
| 2vzm | NRB | Cytochrome P450 monooxygenase PikC | / | 0.451 | |
| 4fdn | FAD | Decaprenylphosphoryl-beta-D-ribose oxidase | / | 0.451 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.450 | |
| 4an3 | 5Y0 | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.450 | |
| 2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.449 | |
| 3dey | DHT | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 3klm | DHT | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 3w5p | 4OA | Vitamin D3 receptor | / | 0.448 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.448 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.448 | |
| 4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.448 | |
| 3h6k | 33T | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.447 | |
| 4l98 | LRG | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 1uyr | D1L | Acetyl-CoA carboxylase | / | 0.446 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.446 | |
| 4a1z | ADP | Kinesin-like protein KIF11 | / | 0.446 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 4l8u | 9AZ | Serum albumin | / | 0.446 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.445 | |
| 2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.445 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.445 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.445 | |
| 4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.445 | |
| 2hwr | DRD | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.444 | |
| 3ggg | NAD | Prephenate dehydrogenase | / | 0.444 | |
| 3t14 | FAD | Sulfide-quinone reductase | / | 0.444 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 1jvs | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.443 | |
| 3gbk | 2PQ | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 3h6v | NS6 | Glutamate receptor 2 | / | 0.443 | |
| 3i59 | N6R | CRP-like cAMP-activated global transcriptional regulator | / | 0.443 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.443 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.443 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.442 | |
| 2i4z | DRH | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 2q8s | L92 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 3lf0 | ATP | Nitrogen regulatory protein P-II | / | 0.442 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.442 | |
| 4jx1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.442 | |
| 2c7x | NRB | Cytochrome P450 monooxygenase PikC | / | 0.441 | |
| 3h0s | B38 | Acetyl-CoA carboxylase | / | 0.441 | |
| 3ict | COA | Coenzyme A disulfide reductase | / | 0.441 | |
| 4g6h | NAI | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.441 | |
| 1ppj | ANY | Cytochrome b | / | 0.440 | |
| 1rj6 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.440 | |
| 2aaz | CB3 | Thymidylate synthase | 2.1.1.45 | 0.440 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 4e4q | RRH | Peroxisome proliferator-activated receptor gamma | / | 0.440 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.440 | |
| 4k2x | FAD | Polyketide oxygenase/hydroxylase | / | 0.440 | |
| 4q0a | 4OA | Vitamin D3 receptor A | / | 0.440 |