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 |
|---|---|---|---|
| 5htp | ANP | Probable sugar kinase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5htp | ANP | Probable sugar kinase | / | 1.000 | |
| 5htx | ADP | Putative xylulose kinase | / | 0.567 | |
| 4loq | SB4 | Mitogen-activated protein kinase 14 | / | 0.477 | |
| 2gu8 | 796 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.473 | |
| 4bdh | WVI | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.470 | |
| 3s4q | NK0 | Mitogen-activated protein kinase 14 | / | 0.466 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.466 | |
| 4z87 | 5GP | Inosine-5'-monophosphate dehydrogenase | / | 0.461 | |
| 2chz | 093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.459 | |
| 4ftk | H9K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.459 | |
| 1ea0 | FMN | Glutamate synthase [NADPH] large chain | 1.4.1.13 | 0.458 | |
| 4fsq | HK3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.458 | |
| 4jlc | SU6 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.456 | |
| 2r5t | ANP | Serine/threonine-protein kinase Sgk1 | 2.7.11.1 | 0.455 | |
| 3lfq | A28 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
| 2exm | ZIP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.453 | |
| 2vo7 | M05 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.453 | |
| 2x8e | X8E | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 2xf0 | 4UB | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 4fst | HK4 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.453 | |
| 3ec0 | GRL | Gag-Pol polyprotein | 3.4.23.47 | 0.452 | |
| 4lop | SB4 | Mitogen-activated protein kinase 14 | / | 0.452 | |
| 2qhm | 7CS | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.451 | |
| 3kga | LX9 | MAP kinase-activated protein kinase 2 | 2.7.11.1 | 0.451 | |
| 4bdd | Z0O | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.451 | |
| 4fnz | NZF | ALK tyrosine kinase receptor | 2.7.10.1 | 0.451 | |
| 4u9a | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.451 | |
| 1nvq | UCN | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 3ggg | NAD | Prephenate dehydrogenase | / | 0.450 | |
| 2c3k | ABO | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.449 | |
| 2p2j | PRX | Acetyl-coenzyme A synthetase | / | 0.449 | |
| 3etg | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.449 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 4k4p | 3TL | Gag-Pol polyprotein | / | 0.449 | |
| 1d4y | TPV | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 2avm | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 3ac3 | KSH | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.448 | |
| 4fsr | HKC | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 1c1d | NAI | Phenylalanine dehydrogenase | / | 0.447 | |
| 1qvn | FRI | Interleukin-2 | / | 0.447 | |
| 3el1 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 3ork | AGS | Serine/threonine protein kinase | / | 0.447 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
| 4dqb | 017 | Gag-Pol polyprotein | / | 0.447 | |
| 2ayp | 43A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 4ftl | H0K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.445 | |
| 1hvs | A77 | Gag-Pol polyprotein | / | 0.445 | |
| 1nqa | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 2q7v | FAD | Thioredoxin reductase | / | 0.445 | |
| 4ek8 | 16K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.445 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
| 3ekt | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 3s56 | ROC | Protease | / | 0.444 | |
| 2qd7 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3ekw | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.443 | |
| 3nu4 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 4bdb | ODO | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.443 | |
| 1nvs | UCM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 2qi6 | MZ8 | Gag-Pol polyprotein | / | 0.442 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3lm9 | ADP | Putative fructokinase | 2.7.1.4 | 0.442 | |
| 3tl9 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4ft5 | H2K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 1fvt | 106 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 2bpw | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 2fzn | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.441 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.441 | |
| 3k4c | FAD | Pyranose 2-oxidase | / | 0.441 | |
| 3nu3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 3r8l | Z30 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 3she | I85 | MAP kinase-activated protein kinase 3 | 2.7.11.1 | 0.441 | |
| 4dzz | ADP | Plasmid partitioning protein ParF | / | 0.441 | |
| 2xye | CXG | Gag-Pol polyprotein | / | 0.440 | |
| 3qpj | N4I | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 4ft7 | H3K | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.440 |