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 |
|---|---|---|---|
| 4cb5 | 93G | Polymerase basic protein 2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4cb5 | 93G | Polymerase basic protein 2 | / | 1.000 | |
| 4cb4 | MGT | Polymerase basic protein 2 | / | 0.576 | |
| 4cb6 | 29R | Polymerase basic protein 2 | / | 0.559 | |
| 2vqz | MGT | Polymerase basic protein 2 | / | 0.542 | |
| 5fmm | MGT | Polymerase basic protein 2 | / | 0.541 | |
| 4eqk | MGT | Polymerase basic protein 2 | / | 0.537 | |
| 4nce | MGT | Polymerase basic protein 2 | / | 0.525 | |
| 4cb7 | 41G | Polymerase basic protein 2 | / | 0.512 | |
| 4es5 | MGT | Polymerase basic protein 2 | / | 0.484 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.480 | |
| 3fvu | IAC | Kynurenine--oxoglutarate transaminase 1 | 2.6.1.7 | 0.480 | |
| 2ha6 | SCK | Acetylcholinesterase | 3.1.1.7 | 0.477 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.476 | |
| 1xl8 | 152 | Peroxisomal carnitine O-octanoyltransferase | 2.3.1.137 | 0.475 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.474 | |
| 1w6j | R71 | Lanosterol synthase | 5.4.99.7 | 0.471 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.469 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.467 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.465 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.464 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.463 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.460 | |
| 4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.460 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.460 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.459 | |
| 4kxj | P34 | Nucleoprotein | / | 0.458 | |
| 2aj8 | SC3 | Dipeptidyl peptidase 4 | / | 0.456 | |
| 1pj6 | FOL | Dimethylglycine oxidase | 1.5.3.10 | 0.455 | |
| 2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
| 4to2 | DGT | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.455 | |
| 3v36 | NAP | Aldose reductase | 1.1.1.21 | 0.454 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
| 1w76 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 2gyw | OBI | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.452 | |
| 3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.452 | |
| 1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 2ckm | AA7 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 3aos | JH2 | Hemolymph juvenile hormone binding protein | / | 0.451 | |
| 3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.451 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.450 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.450 | |
| 1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.449 | |
| 1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.448 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.448 | |
| 4g09 | 0VD | Histidinol dehydrogenase | / | 0.447 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.446 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.446 | |
| 4tnz | TTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.446 | |
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.444 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.444 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1p0p | BCH | Cholinesterase | 3.1.1.8 | 0.443 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
| 1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.442 | |
| 1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.442 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.441 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.441 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 4to6 | TTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.441 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2zsb | ADP | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 5p2p | DHG | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.440 |