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 |
|---|---|---|---|
| 3rin | I2O | Mitogen-activated protein kinase 14 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3rin | I2O | Mitogen-activated protein kinase 14 | / | 1.000 | |
| 3itz | P66 | Mitogen-activated protein kinase 14 | / | 0.658 | |
| 3ds6 | A17 | Mitogen-activated protein kinase 14 | / | 0.641 | |
| 1zzl | TZY | Mitogen-activated protein kinase 14 | / | 0.579 | |
| 3fko | FKO | Mitogen-activated protein kinase 14 | / | 0.568 | |
| 3fl4 | FL4 | Mitogen-activated protein kinase 14 | / | 0.563 | |
| 3hub | 469 | Mitogen-activated protein kinase 14 | / | 0.560 | |
| 3e92 | G6A | Mitogen-activated protein kinase 14 | / | 0.555 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.554 | |
| 3zsh | 469 | Mitogen-activated protein kinase 14 | / | 0.553 | |
| 3fmm | XI2 | Mitogen-activated protein kinase 14 | / | 0.552 | |
| 2gfs | PQB | Mitogen-activated protein kinase 14 | / | 0.545 | |
| 3gfe | P37 | Mitogen-activated protein kinase 14 | / | 0.532 | |
| 2zb1 | GK4 | Mitogen-activated protein kinase 14 | / | 0.528 | |
| 3fkn | FKN | Mitogen-activated protein kinase 14 | / | 0.527 | |
| 3s4q | NK0 | Mitogen-activated protein kinase 14 | / | 0.519 | |
| 2yix | YIX | Mitogen-activated protein kinase 14 | / | 0.517 | |
| 1ove | 358 | Mitogen-activated protein kinase 14 | / | 0.507 | |
| 3bx5 | 304 | Mitogen-activated protein kinase 14 | / | 0.501 | |
| 3hp5 | 52P | Mitogen-activated protein kinase 14 | / | 0.500 | |
| 3u8w | 09J | Mitogen-activated protein kinase 14 | / | 0.499 | |
| 3uvq | FS8 | Mitogen-activated protein kinase 14 | / | 0.499 | |
| 3mpa | SB2 | Mitogen-activated protein kinase 14 | / | 0.497 | |
| 1zyj | BI5 | Mitogen-activated protein kinase 14 | / | 0.489 | |
| 3fls | FLS | Mitogen-activated protein kinase 14 | / | 0.489 | |
| 1osv | CHC | Bile acid receptor | / | 0.484 | |
| 4kip | 1R9 | Mitogen-activated protein kinase 14 | / | 0.482 | |
| 1g4t | FTP | Thiamine-phosphate synthase | / | 0.481 | |
| 2zb0 | GK3 | Mitogen-activated protein kinase 14 | / | 0.481 | |
| 3fkl | FKL | Mitogen-activated protein kinase 14 | / | 0.481 | |
| 3uib | SB2 | Putative mitogen-activated protein kinase | / | 0.481 | |
| 3dt1 | P40 | Mitogen-activated protein kinase 14 | / | 0.480 | |
| 3l8x | N4D | Mitogen-activated protein kinase 14 | / | 0.480 | |
| 3roc | 29A | Mitogen-activated protein kinase 14 | / | 0.480 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.480 | |
| 3b8r | 887 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.479 | |
| 2hk5 | 1BM | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.478 | |
| 3d7z | GK5 | Mitogen-activated protein kinase 14 | / | 0.478 | |
| 1fdw | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.476 | |
| 1ywr | LI9 | Mitogen-activated protein kinase 14 | / | 0.475 | |
| 3uvp | 048 | Mitogen-activated protein kinase 14 | / | 0.475 | |
| 1w7h | 3IP | Mitogen-activated protein kinase 14 | / | 0.474 | |
| 3lfe | Z84 | Mitogen-activated protein kinase 14 | / | 0.474 | |
| 4aa5 | NQB | Mitogen-activated protein kinase 14 | / | 0.474 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.474 | |
| 4nks | 2M2 | Fibroblast growth factor receptor 1 | / | 0.473 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.471 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.471 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.470 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.470 | |
| 1g69 | TZP | Thiamine-phosphate synthase | / | 0.469 | |
| 1ouy | 094 | Mitogen-activated protein kinase 14 | / | 0.469 | |
| 2rl5 | 2RL | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.469 | |
| 4eh6 | 0ON | Mitogen-activated protein kinase 14 | / | 0.468 | |
| 3mvl | 38P | Mitogen-activated protein kinase 14 | / | 0.467 | |
| 3fmj | FMJ | Mitogen-activated protein kinase 14 | / | 0.466 | |
| 1trg | CB3 | Thymidylate synthase | / | 0.465 | |
| 3vrz | VRZ | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.465 | |
| 4otw | DB8 | Receptor tyrosine-protein kinase erbB-3 | 2.7.10.1 | 0.465 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.465 | |
| 3fc1 | 52P | Mitogen-activated protein kinase 14 | / | 0.464 | |
| 3iph | G11 | Mitogen-activated protein kinase 14 | / | 0.464 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.462 | |
| 3ha8 | 5JZ | Mitogen-activated protein kinase 14 | / | 0.462 | |
| 3hll | I45 | Mitogen-activated protein kinase 14 | / | 0.462 | |
| 5hes | 032 | Mitogen-activated protein kinase kinase kinase 20 | 2.7.11.25 | 0.462 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.462 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.461 | |
| 4mxx | DB8 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.460 | |
| 4nka | 2K7 | Fibroblast growth factor receptor 1 | / | 0.460 | |
| 3bv2 | P38 | Mitogen-activated protein kinase 14 | / | 0.459 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.459 | |
| 3t2k | FAD | Sulfide-quinone reductase | / | 0.459 | |
| 2itq | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.458 | |
| 3c5u | P41 | Mitogen-activated protein kinase 14 | / | 0.458 | |
| 5iu4 | ZMA | Adenosine receptor A2a | / | 0.458 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.457 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.457 | |
| 4uhr | NGI | Adenosine receptor A2a | / | 0.457 | |
| 1di9 | MSQ | Mitogen-activated protein kinase 14 | / | 0.456 | |
| 1m7q | DQO | Mitogen-activated protein kinase 14 | / | 0.456 | |
| 2g2h | P16 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.456 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.456 | |
| 2itu | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.455 | |
| 4dgg | I76 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.455 | |
| 4qe6 | JN3 | Bile acid receptor | / | 0.455 | |
| 4qmn | DB8 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.455 | |
| 4kiq | 1RA | Mitogen-activated protein kinase 14 | / | 0.454 | |
| 2p15 | EZT | Estrogen receptor | / | 0.453 | |
| 2y6o | 1N1 | Ephrin type-A receptor 4 | 2.7.10.1 | 0.453 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.453 | |
| 3b8q | 900 | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.453 | |
| 3kf7 | L9G | Mitogen-activated protein kinase 14 | / | 0.453 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.453 | |
| 4ug2 | NGI | Adenosine receptor A2a | / | 0.453 | |
| 1jtu | LYB | Thymidylate synthase | / | 0.452 | |
| 1v9a | SAH | Uncharacterized protein | / | 0.452 | |
| 1t1r | IMB | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.451 | |
| 2z6d | FMN | Phototropin-2 | 2.7.11.1 | 0.451 | |
| 3ac2 | KSE | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.451 | |
| 3ac5 | KZM | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.451 | |
| 5iu8 | 6DZ | Adenosine receptor A2a | / | 0.451 | |
| 5iua | 6DX | Adenosine receptor A2a | / | 0.451 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 3bbt | FMM | Receptor tyrosine-protein kinase erbB-4 | 2.7.10.1 | 0.450 | |
| 3bgx | MEF | Thymidylate synthase | / | 0.450 | |
| 1g6c | IFP | Thiamine-phosphate synthase | / | 0.449 | |
| 2itn | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.449 | |
| 2r8v | ACO | Amino-acid acetyltransferase | / | 0.449 | |
| 3a14 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.449 | |
| 3acj | KSS | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.449 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.449 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.449 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 3ar5 | TG1 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.448 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 3iw5 | DF3 | Mitogen-activated protein kinase 14 | / | 0.448 | |
| 3qlf | PD5 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.448 | |
| 3vid | 4TT | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.448 | |
| 4bdd | Z0O | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.448 | |
| 4pyt | FAD | UDP-N-acetylenolpyruvoylglucosamine reductase | / | 0.448 | |
| 4ubv | COA | Steroid 3-ketoacyl-CoA thiolase | / | 0.448 | |
| 1dss | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.447 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.447 | |
| 1g6c | TZP | Thiamine-phosphate synthase | / | 0.447 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.447 | |
| 1uuo | BRF | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.447 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.447 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.447 | |
| 3hng | 8ST | Vascular endothelial growth factor receptor 1 | 2.7.10.1 | 0.447 | |
| 3nwl | NDP | Catalase | 1.11.1.6 | 0.447 | |
| 3nww | 3NW | Mitogen-activated protein kinase 14 | / | 0.447 | |
| 4bdh | WVI | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.447 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4lop | SB4 | Mitogen-activated protein kinase 14 | / | 0.447 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.447 | |
| 1pn3 | TYD | dTDP-epi-vancosaminyltransferase | 2.4.1.311 | 0.446 | |
| 1zg3 | 2HI | Isoflavone 4'-O-methyltransferase | / | 0.446 | |
| 2qd9 | LGF | Mitogen-activated protein kinase 14 | / | 0.446 | |
| 2zyb | KSL | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.446 | |
| 3o8t | BMU | Mitogen-activated protein kinase 14 | / | 0.446 | |
| 4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.446 | |
| 4h4x | FAD | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.446 | |
| 4jlc | SU6 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.446 | |
| 4qmx | H8H | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.446 | |
| 1d3g | BRE | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.445 | |
| 2nu9 | COA | Succinate--CoA ligase [ADP-forming] subunit alpha | 6.2.1.5 | 0.445 | |
| 2og8 | 1N8 | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.445 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.445 | |
| 3fly | FLY | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.445 | |
| 4pd6 | URI | Nucleoside permease | / | 0.445 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.445 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1kce | CB3 | Thymidylate synthase | / | 0.444 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.444 | |
| 3mpt | 1GK | Mitogen-activated protein kinase 14 | / | 0.444 | |
| 3vtd | TKD | Vitamin D3 receptor | / | 0.444 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 4a80 | 2AN | Major pollen allergen Bet v 1-A | / | 0.444 | |
| 4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 1hpz | AAP | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 2ww4 | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | 2.7.1.148 | 0.443 | |
| 3fmn | 530 | Mitogen-activated protein kinase 14 | / | 0.443 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.443 | |
| 3p6p | A6B | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4f64 | 0S8 | Fibroblast growth factor receptor 1 | / | 0.443 | |
| 4jx1 | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 4wdb | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.443 | |
| 4xiv | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.443 | |
| 1ii6 | ADP | Kinesin-like protein KIF11 | / | 0.442 | |
| 1y4l | SVR | Basic phospholipase A2 homolog 2 | / | 0.442 | |
| 2q5q | TPW | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.442 | |
| 2xyu | Q9G | Ephrin type-A receptor 4 | 2.7.10.1 | 0.442 | |
| 3nwx | KVS | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 3tdv | GDP | Gentamicin resistance protein | / | 0.442 | |
| 1v59 | FAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.441 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 2bal | PQA | Mitogen-activated protein kinase 14 | / | 0.441 | |
| 2chz | 093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 2qoc | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.441 | |
| 3fmh | 533 | Mitogen-activated protein kinase 14 | / | 0.441 | |
| 3g0e | B49 | Mast/stem cell growth factor receptor Kit | 2.7.10.1 | 0.441 | |
| 3mje | NDP | AmphB | / | 0.441 | |
| 3pcf | FHB | Protocatechuate 3,4-dioxygenase beta chain | 1.13.11.3 | 0.441 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.441 | |
| 4em9 | TCE | Peroxisome proliferator-activated receptor gamma | / | 0.441 | |
| 4fuy | EK2 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.441 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.441 | |
| 4wa9 | AXI | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.441 | |
| 1yb5 | NAP | Quinone oxidoreductase | 1.6.5.5 | 0.440 | |
| 2jds | L20 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
| 2uw5 | GVN | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.440 | |
| 3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 3drr | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.440 | |
| 3f69 | XDR | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.440 | |
| 3flz | FLZ | Mitogen-activated protein kinase 14 | / | 0.440 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.440 | |
| 4kin | 1M8 | Mitogen-activated protein kinase 14 | / | 0.440 |