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 |
|---|---|---|---|
| 5fwg | GPR | Glutathione S-transferase Mu 1 | 2.5.1.18 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5fwg | GPR | Glutathione S-transferase Mu 1 | 2.5.1.18 | 1.000 | |
| 2gst | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.642 | |
| 4gst | GTD | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.631 | |
| 3gst | GPR | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.622 | |
| 1c72 | EPY | Glutathione S-transferase 2 | 2.5.1.18 | 0.612 | |
| 6gsx | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.606 | |
| 1gsu | GTX | Glutathione S-transferase 2 | 2.5.1.18 | 0.597 | |
| 6gsw | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.589 | |
| 3aid | ARQ | Gag-Pol polyprotein | 3.4.23.16 | 0.494 | |
| 4bib | IEO | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.494 | |
| 5upj | UIN | Gag-Pol polyprotein | / | 0.482 | |
| 3upj | U03 | Gag-Pol polyprotein | / | 0.477 | |
| 1npa | 3NH | Gag-Pol polyprotein | 3.4.23.16 | 0.476 | |
| 1npw | LGZ | Gag-Pol polyprotein | 3.4.23.16 | 0.476 | |
| 3zpu | M8B | Gag-Pol polyprotein | 3.4.23.16 | 0.474 | |
| 4dk5 | 0KO | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.474 | |
| 4g1w | G1W | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.473 | |
| 5bp9 | SAH | Putative methyltransferase protein | / | 0.473 | |
| 4hys | 1BJ | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.470 | |
| 4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
| 4cta | ATP | CinA-like protein | / | 0.467 | |
| 4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.466 | |
| 1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
| 1yvj | 4ST | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.462 | |
| 3eky | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.462 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.462 | |
| 1z1h | HBB | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
| 2gr1 | FAD | Ferredoxin reductase | / | 0.460 | |
| 4wq5 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.459 | |
| 2xye | CXG | Gag-Pol polyprotein | / | 0.458 | |
| 3i2l | 2NC | Protease | / | 0.458 | |
| 4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
| 1hsh | MK1 | Gag-Pol polyprotein | / | 0.456 | |
| 1t7j | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.456 | |
| 2cke | IQU | Death-associated protein kinase 2 | / | 0.455 | |
| 2upj | U02 | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
| 3lm9 | ADP | Putative fructokinase | 2.7.1.4 | 0.455 | |
| 4uux | APR | CinA-like protein | / | 0.455 | |
| 1bai | 0Q4 | Gag-Pro polyprotein | / | 0.454 | |
| 1jld | 0PP | Gag-Pol polyprotein | / | 0.454 | |
| 1w5v | BE3 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
| 2b7z | MK1 | Gag-Pol polyprotein | / | 0.454 | |
| 3ggg | NAD | Prephenate dehydrogenase | / | 0.454 | |
| 3zpt | M8Y | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
| 4bdi | HAU | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.454 | |
| 1d4k | PI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
| 3ogq | AB1 | Pol polyprotein | / | 0.453 | |
| 4fic | 0UL | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.453 | |
| 1c6x | 3IN | Protease | / | 0.452 | |
| 1hpo | UNI | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 2cej | 1AH | Pol protein | / | 0.452 | |
| 2vu3 | LZE | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.452 | |
| 3cyx | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 3v04 | V04 | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.452 | |
| 1c6y | MK1 | Protease | / | 0.451 | |
| 2ijm | ADP | Focal adhesion kinase 1 | 2.7.10.2 | 0.451 | |
| 4jaj | XU1 | Aurora kinase A | 2.7.11.1 | 0.451 | |
| 1b6k | PI5 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
| 1ebw | BEI | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
| 1wbm | BLL | Pol protein | / | 0.450 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.450 | |
| 2bpv | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 2pk6 | O33 | V-1 protease | / | 0.449 | |
| 3ggu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
| 4yzc | STU | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.449 | |
| 1a94 | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 1zmc | FAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.448 | |
| 2hs2 | 017 | Protease | / | 0.448 | |
| 2qi4 | MZ6 | Gag-Pol polyprotein | / | 0.448 | |
| 3tl9 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 3zew | STU | Ephrin type-B receptor 4 | 2.7.10.1 | 0.448 | |
| 4ydu | ADP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.448 | |
| 1k1u | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 2wkz | 5AH | Gag-Pol polyprotein | / | 0.447 | |
| 2yir | YIR | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.447 | |
| 4wq4 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.447 | |
| 2qhc | AB1 | Protease | / | 0.446 | |
| 3vf5 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 1k6v | XN2 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 2nn7 | M29 | Carbonic anhydrase 1 | 4.2.1.1 | 0.445 | |
| 2zja | ACP | ATP-dependent DNA helicase Hel308 | / | 0.445 | |
| 3ojl | NAD | Cap5O | / | 0.445 | |
| 4eut | BX7 | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.445 | |
| 4ez5 | 0RS | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.445 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.445 | |
| 4h4u | NDP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.445 | |
| 1d4j | MSC | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 1wbk | 568 | Pol protein | / | 0.444 | |
| 2bb9 | AKC | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 3swr | SFG | DNA (cytosine-5)-methyltransferase 1 | 2.1.1.37 | 0.444 | |
| 1b6p | PI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 1o8c | NDP | Probable acrylyl-CoA reductase AcuI | 1.3.1.84 | 0.443 | |
| 2bpw | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 2q63 | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 2ycs | NXP | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.443 | |
| 3kdd | JZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 4bdg | P3J | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.443 | |
| 4c4j | X21 | Dual specificity protein kinase TTK | 2.7.12.1 | 0.443 | |
| 4fad | 0TB | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
| 4h4x | FAD | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.443 | |
| 1ajx | AH1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 1ec0 | BED | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 1ec2 | BEJ | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 1ke5 | LS1 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.442 | |
| 1yt9 | OIS | Gag-Pol polyprotein | / | 0.442 | |
| 2j4d | MHF | Cryptochrome DASH, chloroplastic/mitochondrial | / | 0.442 | |
| 2pmo | HMD | Protein kinase 7 | / | 0.442 | |
| 2r5q | 1UN | Gag-Pol polyprotein | / | 0.442 | |
| 2uw0 | GVK | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 2w0j | ZAT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.442 | |
| 4dqe | 017 | Gag-Pol polyprotein | / | 0.442 | |
| 1hos | PHP | Gag-Pol polyprotein | / | 0.441 | |
| 2c1a | I5S | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.441 | |
| 2r5p | MK1 | Gag-Pol polyprotein | / | 0.441 | |
| 2w7x | D1A | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.441 | |
| 2x2l | X2L | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.441 | |
| 2ycf | YCF | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.441 | |
| 3gu7 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.441 | |
| 3l9h | EMQ | Kinesin-like protein KIF11 | / | 0.441 | |
| 3p9k | SAH | Caffeic acid O-methyltransferase | / | 0.441 | |
| 4blw | SAH | Ribosomal RNA large subunit methyltransferase J | / | 0.441 | |
| 4e73 | 0NR | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.441 | |
| 4ek8 | 16K | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 1d4h | BEH | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 3nux | 3NV | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.440 | |
| 3nyg | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 3rga | LSB | Epoxide hydrolase LasB | 5.5.1 | 0.440 | |
| 4dqc | 017 | Gag-Pol polyprotein | / | 0.440 |