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 |
|---|---|---|---|
| 3gi3 | B10 | Mitogen-activated protein kinase 14 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3gi3 | B10 | Mitogen-activated protein kinase 14 | / | 1.000 | |
| 2puu | G2G | Mitogen-activated protein kinase 14 | / | 0.705 | |
| 3p79 | P79 | Mitogen-activated protein kinase 14 | / | 0.643 | |
| 3p5k | P5K | Mitogen-activated protein kinase 14 | / | 0.630 | |
| 3k3j | F4C | Mitogen-activated protein kinase 14 | / | 0.617 | |
| 1kv1 | BMU | Mitogen-activated protein kinase 14 | / | 0.593 | |
| 4aa0 | AA0 | Mitogen-activated protein kinase 14 | / | 0.593 | |
| 3hv7 | 1AU | Mitogen-activated protein kinase 14 | / | 0.592 | |
| 3p7b | P7B | Mitogen-activated protein kinase 14 | / | 0.589 | |
| 3e93 | 19B | Mitogen-activated protein kinase 14 | / | 0.578 | |
| 3nnu | EDB | Mitogen-activated protein kinase 14 | / | 0.561 | |
| 3nnx | EDD | Mitogen-activated protein kinase 14 | / | 0.561 | |
| 1wbs | LI2 | Mitogen-activated protein kinase 14 | / | 0.536 | |
| 1wbt | WBT | Mitogen-activated protein kinase 14 | / | 0.536 | |
| 4l8m | F46 | Mitogen-activated protein kinase 14 | / | 0.531 | |
| 3gcu | R48 | Mitogen-activated protein kinase 14 | / | 0.520 | |
| 3ugc | 046 | Tyrosine-protein kinase JAK2 | / | 0.520 | |
| 4u0i | 0LI | Mast/stem cell growth factor receptor Kit | 2.7.10.1 | 0.516 | |
| 3wze | BAX | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.510 | |
| 3p78 | P78 | Mitogen-activated protein kinase 14 | / | 0.509 | |
| 3hv4 | L51 | Mitogen-activated protein kinase 14 | / | 0.504 | |
| 1wbv | LI3 | Mitogen-activated protein kinase 14 | / | 0.501 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.495 | |
| 2e2b | 406 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.489 | |
| 2hz0 | GIN | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.486 | |
| 2yj5 | ATP | Copper-transporting ATPase | / | 0.480 | |
| 2hiw | 7MP | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.477 | |
| 2yiw | YIW | Mitogen-activated protein kinase 14 | / | 0.473 | |
| 3p7c | P7C | Mitogen-activated protein kinase 14 | / | 0.472 | |
| 3vhe | 42Q | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.471 | |
| 2xbj | XBJ | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.469 | |
| 3gcv | SS6 | Mitogen-activated protein kinase 14 | / | 0.469 | |
| 4oau | ADP | 2-5A-dependent ribonuclease | 3.1.26 | 0.467 | |
| 3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.466 | |
| 1zth | ADP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.464 | |
| 4g17 | 0VN | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.464 | |
| 3uow | XMP | GMP synthase [glutamine-hydrolyzing] | / | 0.463 | |
| 4l49 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.463 | |
| 3ogq | AB1 | Pol polyprotein | / | 0.462 | |
| 1w82 | L10 | Mitogen-activated protein kinase 14 | / | 0.461 | |
| 3qp0 | NI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
| 1j7l | ADP | Aminoglycoside 3'-phosphotransferase | 2.7.1.95 | 0.459 | |
| 1c6z | ROC | Protease | / | 0.458 | |
| 3w1w | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.458 | |
| 1sbg | IM1 | Gag-Pol polyprotein | / | 0.457 | |
| 2chz | 093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.457 | |
| 4hle | 17V | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.457 | |
| 1mui | AB1 | Protease | / | 0.456 | |
| 2gst | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.456 | |
| 2zax | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.456 | |
| 1jf7 | TBH | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.455 | |
| 1o6y | ACP | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.455 | |
| 3el5 | 1UN | Gag-Pol polyprotein | / | 0.455 | |
| 3nnw | EDD | Mitogen-activated protein kinase 14 | / | 0.455 | |
| 1dz4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 3qyw | 6PB | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.454 | |
| 4hw7 | 64M | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.454 | |
| 4r7i | STI | Macrophage colony-stimulating factor 1 receptor | 2.7.10.1 | 0.454 | |
| 5cp4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.454 | |
| 1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
| 2eau | CZA | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.453 | |
| 3nyn | SGV | G protein-coupled receptor kinase 6 | 2.7.11.16 | 0.453 | |
| 4ei7 | GDP | Plasmid replication protein RepX | / | 0.453 | |
| 1kqw | RTL | Cellular retinol-binding protein type II | / | 0.452 | |
| 3apf | BMW | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.452 | |
| 3kkv | B99 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.452 | |
| 3liv | E16 | Protease | / | 0.452 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.451 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 2qnp | QN2 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
| 2w0j | ZAT | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.450 | |
| 3ckt | YDP | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
| 4dgo | 0JW | Casein kinase II subunit alpha | 2.7.11.1 | 0.450 | |
| 4hge | 15V | Tyrosine-protein kinase JAK2 | / | 0.450 | |
| 4jhz | 1KV | Beta-glucuronidase | 3.2.1.31 | 0.450 | |
| 6gsw | GPS | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.450 | |
| 6upj | NIU | Gag-Pol polyprotein | / | 0.450 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.449 | |
| 2bxq | IMN | Serum albumin | / | 0.449 | |
| 1b6p | PI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 2xvw | 9NR | Serum albumin | / | 0.448 | |
| 3ekx | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 4ezj | 0SC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.448 | |
| 1t88 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 1w8c | N69 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 2acw | UPG | Glycosyltransferase | / | 0.447 | |
| 2btr | U73 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.447 | |
| 2cen | 4AH | Protease | / | 0.447 | |
| 2m56 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 2xye | CXG | Gag-Pol polyprotein | / | 0.447 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.447 | |
| 3qk0 | QK0 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.447 | |
| 4nmb | FAD | Bifunctional protein PutA | / | 0.447 | |
| 1jst | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.446 | |
| 1pag | FMP | Antiviral protein I | 3.2.2.22 | 0.446 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.446 | |
| 1wbm | BLL | Pol protein | / | 0.446 | |
| 2pvh | P19 | Casein kinase II subunit alpha | 2.7.11.1 | 0.446 | |
| 3d83 | GK6 | Mitogen-activated protein kinase 14 | / | 0.446 | |
| 4dit | 0KD | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.446 | |
| 4ks8 | B49 | Serine/threonine-protein kinase PAK 6 | 2.7.11.1 | 0.446 | |
| 1jm6 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.445 | |
| 2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 2qhc | AB1 | Protease | / | 0.445 | |
| 3bfb | 9OD | Pheromone-binding protein ASP1 | / | 0.445 | |
| 1h1r | 6CP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.444 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 2hs2 | 017 | Protease | / | 0.444 | |
| 2vgp | AD6 | Aurora kinase B-A | 2.7.11.1 | 0.444 | |
| 3ekv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 3qrm | NK7 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 3w0s | ANP | Hygromycin-B 4-O-kinase | 2.7.1.163 | 0.444 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 4hyu | 1BK | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.444 | |
| 1bdr | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 1iwi | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 1sh9 | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 2a4l | RRC | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
| 2bpv | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 2cgu | 3A3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.443 | |
| 2r38 | G4G | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3ddp | RC8 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.443 | |
| 3s54 | 017 | Protease | / | 0.443 | |
| 4bdf | H3R | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.443 | |
| 4ehv | 0SJ | Mitogen-activated protein kinase 14 | / | 0.443 | |
| 4fv1 | EK4 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.443 | |
| 4h4u | NDP | Biphenyl dioxygenase ferredoxin reductase subunit | / | 0.443 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.443 | |
| 1mtr | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 2cpp | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.442 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.442 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.442 | |
| 3cyx | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 3el4 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 3zpt | M8Y | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.442 | |
| 4em9 | TCE | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 4l2i | FAD | Electron transfer flavoprotein alpha/beta-subunit | / | 0.442 | |
| 4wq4 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.442 | |
| 5aga | ANP | DNA polymerase theta | / | 0.442 | |
| 1hii | C20 | Gag-Pol polyprotein | / | 0.441 | |
| 1kzk | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 1npv | L27 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 1ojt | FAD | Dihydrolipoyl dehydrogenase | / | 0.441 | |
| 1wbk | 568 | Pol protein | / | 0.441 | |
| 2b9f | ADP | Mitogen-activated protein kinase FUS3 | 2.7.11.24 | 0.441 | |
| 2cmw | OLP | Casein kinase I isoform gamma-1 | 2.7.11.1 | 0.441 | |
| 2pmo | HMD | Protein kinase 7 | / | 0.441 | |
| 2ydf | IO3 | Serum albumin | / | 0.441 | |
| 3aid | ARQ | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 3gst | GPR | Glutathione S-transferase Mu 1 | 2.5.1.18 | 0.441 | |
| 3lfn | A27 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.441 | |
| 3ma3 | 01I | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.441 | |
| 3q2j | CKI | Aminoglycoside 3'-phosphotransferase | 2.7.1.95 | 0.441 | |
| 3tm0 | ANP | Aminoglycoside 3'-phosphotransferase | 2.7.1.95 | 0.441 | |
| 4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.441 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 4ic7 | ANP | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.441 | |
| 3qak | UKA | Adenosine receptor A2a | / | 0.441 | |
| 1e7v | LY2 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 1mer | DMQ | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 1noo | CAH | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 1t7j | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 1yt9 | OIS | Gag-Pol polyprotein | / | 0.440 | |
| 2duv | 371 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 3nwx | KVS | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 4dfl | 0K0 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.440 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.440 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.440 | |
| 4k11 | 0J9 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.440 |