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 |
|---|---|---|---|
| 1jf0 | CZH | Obelin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1jf0 | CZH | Obelin | / | 1.000 | |
| 1qv1 | CZH | Obelin | / | 0.627 | |
| 1uhh | CZP | Aequorin-2 | / | 0.627 | |
| 1uhj | CZB | Aequorin-2 | / | 0.626 | |
| 4nqg | CZH | Mitrocomin | / | 0.624 | |
| 1ej3 | CZH | Aequorin-2 | / | 0.622 | |
| 4n1f | CZH | Obelin | / | 0.619 | |
| 1el4 | CTZ | Obelin | / | 0.611 | |
| 1qv0 | CZH | Obelin | / | 0.608 | |
| 1jf2 | CZH | Obelin | / | 0.604 | |
| 1s36 | CEI | Obelin | / | 0.601 | |
| 4mrx | CZH | Obelin | / | 0.530 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.489 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.487 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.482 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.481 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.471 | |
| 4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.471 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.469 | |
| 1bwk | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.466 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.464 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.464 | |
| 4iae | 1DX | Alr2278 protein | / | 0.464 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.463 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.463 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.463 | |
| 3dr4 | G4M | GDP-perosamine synthase | / | 0.463 | |
| 3l6j | Z90 | Alr2278 protein | / | 0.463 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.462 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.461 | |
| 4rh1 | 0TT | Spore photoproduct lyase | / | 0.461 | |
| 2zi6 | 3D1 | Deoxycytidine kinase | 2.7.1.74 | 0.458 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 2gyu | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.455 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 3ivc | FG4 | Pantothenate synthetase | 6.3.2.1 | 0.454 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.454 | |
| 2hs6 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.453 | |
| 4h7c | 10H | Aldo-keto reductase family 1 member C3 | / | 0.453 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.452 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 1dgh | NDP | Catalase | 1.11.1.6 | 0.450 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 2xvv | 9DN | Serum albumin | / | 0.450 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 1h60 | STR | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 2acl | L05 | Oxysterols receptor LXR-alpha | / | 0.448 | |
| 3jsw | JAR | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 4l5b | 1UX | Deoxycytidine kinase | 2.7.1.74 | 0.448 | |
| 1zji | 2PG | 2-dehydro-3-deoxyphosphooctonate aldolase | 2.5.1.55 | 0.447 | |
| 3br3 | ET | HTH-type transcriptional regulator QacR | / | 0.446 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.446 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.445 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1w6j | R71 | Lanosterol synthase | 5.4.99.7 | 0.444 | |
| 2aba | STR | Pentaerythritol tetranitrate reductase | / | 0.444 | |
| 2yy2 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 4fl0 | PLP | Aminotransferase ALD1, chloroplastic | 2.6.1 | 0.444 | |
| 4m0f | 1YK | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1rpw | DID | HTH-type transcriptional regulator QacR | / | 0.443 | |
| 1xl8 | 152 | Peroxisomal carnitine O-octanoyltransferase | 2.3.1.137 | 0.443 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 3mj4 | URM | UDP-galactopyranose mutase | / | 0.443 | |
| 3qi4 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 4iah | 1DX | Alr2278 protein | / | 0.443 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.442 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.442 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3ntr | NAD | Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase | 1.1.1.18 | 0.442 | |
| 1s1r | NAP | Aldo-keto reductase family 1 member C3 | / | 0.441 | |
| 1ygj | RMC | Pyridoxal kinase | 2.7.1.35 | 0.441 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 3qeo | LLT | Deoxycytidine kinase | 2.7.1.74 | 0.440 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 |