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 |
|---|---|---|---|
| 2ewa | SB2 | Mitogen-activated protein kinase 14 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ewa | SB2 | Mitogen-activated protein kinase 14 | / | 1.000 | |
| 3hv3 | R49 | Mitogen-activated protein kinase 14 | / | 0.522 | |
| 3gcq | 1BU | Mitogen-activated protein kinase 14 | / | 0.519 | |
| 3l8s | BFF | Mitogen-activated protein kinase 14 | / | 0.515 | |
| 1ouk | 084 | Mitogen-activated protein kinase 14 | / | 0.498 | |
| 4eh6 | 0ON | Mitogen-activated protein kinase 14 | / | 0.493 | |
| 1ywr | LI9 | Mitogen-activated protein kinase 14 | / | 0.489 | |
| 4fk3 | 325 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.489 | |
| 2jc6 | QPP | Calcium/calmodulin-dependent protein kinase type 1D | 2.7.11.17 | 0.486 | |
| 3huc | G97 | Mitogen-activated protein kinase 14 | / | 0.482 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.482 | |
| 3zsg | T75 | Mitogen-activated protein kinase 14 | / | 0.482 | |
| 2bak | AQZ | Mitogen-activated protein kinase 14 | / | 0.479 | |
| 3itu | IBM | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.479 | |
| 4a9y | AQZ | Mitogen-activated protein kinase 14 | / | 0.479 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.475 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.474 | |
| 3fu8 | 3DM | Laccase-1 | 1.10.3.2 | 0.474 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.474 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.473 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.473 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.472 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.471 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.470 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.469 | |
| 2fb8 | 215 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.469 | |
| 3htj | ET | EbrA repressor | / | 0.469 | |
| 4a4x | JUP | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.469 | |
| 3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.468 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.467 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.466 | |
| 1ouy | 094 | Mitogen-activated protein kinase 14 | / | 0.465 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.465 | |
| 4eh7 | 0OO | Mitogen-activated protein kinase 14 | / | 0.465 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.465 | |
| 3cth | 319 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.463 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3t5i | SER_SER_CMT_FAR | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.463 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.462 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.461 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.461 | |
| 1soj | IBM | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.460 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.460 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.460 | |
| 3fln | 3FN | Mitogen-activated protein kinase 14 | / | 0.457 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4lux | H4B | Nitric oxide synthase, brain | 1.14.13.39 | 0.456 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 3qly | 55V | Uncharacterized protein | / | 0.455 | |
| 4zqc | F6F | Tryptophan synthase alpha chain | / | 0.455 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 3ppk | FNI | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.454 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.452 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.452 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.451 | |
| 3o8t | BMU | Mitogen-activated protein kinase 14 | / | 0.451 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 4j52 | 1J3 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.451 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.451 | |
| 1yqd | NAP | Sinapyl alcohol dehydrogenase | / | 0.450 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 3d74 | NBB | Pheromone-binding protein ASP1 | / | 0.450 | |
| 3p9t | TCL | Repressor | / | 0.450 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.449 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 4i6h | 1C8 | Serine/threonine-protein kinase PLK2 | 2.7.11.21 | 0.449 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1odn | APV | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.448 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
| 3sgy | 06W | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4eyj | N61 | Mitogen-activated protein kinase 13 | 2.7.11.24 | 0.448 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.447 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.446 | |
| 2jav | 5Z5 | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.446 | |
| 2uxh | QUE | HTH-type transcriptional regulator TtgR | / | 0.446 | |
| 3eta | 351 | Insulin receptor | 2.7.10.1 | 0.446 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.446 | |
| 3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.446 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.445 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 3fmn | 530 | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 3mpa | SB2 | Mitogen-activated protein kinase 14 | / | 0.445 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.445 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.445 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.445 | |
| 2hrc | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 3be2 | RAJ | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.444 | |
| 3c0g | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.444 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.444 | |
| 3k31 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.444 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.444 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.444 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1fdw | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.443 | |
| 1x8b | 824 | Wee1-like protein kinase | 2.7.10.2 | 0.443 | |
| 2c9d | PHR | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
| 3eon | 341 | Glutaryl-CoA dehydrogenase | / | 0.443 | |
| 3nxt | D2E | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3up3 | XCA | aceDAF-12 | / | 0.443 | |
| 3pwh | ZMA | Adenosine receptor A2a | / | 0.443 | |
| 1yc2 | NAD | NAD-dependent protein deacylase 2 | / | 0.442 | |
| 3ctj | 320 | Hepatocyte growth factor receptor | 2.7.10.1 | 0.442 | |
| 4afe | GGY | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.442 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.442 | |
| 4fny | I3K | ALK tyrosine kinase receptor | 2.7.10.1 | 0.442 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.441 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4jsf | H4B | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1dr4 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3h18 | PMS | Esterase/lipase | / | 0.440 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3tub | FPU | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.440 | |
| 4dlj | 6RG | Mitogen-activated protein kinase 14 | / | 0.440 |