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 |
|---|---|---|---|
| 2vbv | FMN | Riboflavin kinase | 2.7.1.161 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2vbv | FMN | Riboflavin kinase | 2.7.1.161 | 1.000 | |
| 4ms1 | 381 | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.503 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.476 | |
| 1q63 | AIQ | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.464 | |
| 4wx2 | F6F | Tryptophan synthase alpha chain | / | 0.462 | |
| 4wx2 | F6F | Tryptophan synthase beta chain | 4.2.1.20 | 0.462 | |
| 1an5 | CB3 | Thymidylate synthase | / | 0.460 | |
| 1qv0 | CZH | Obelin | / | 0.460 | |
| 5d7p | OCZ | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.459 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.458 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.458 | |
| 1s3w | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2gby | BRN | HTH-type transcriptional regulator QacR | / | 0.456 | |
| 2olc | ADP | Methylthioribose kinase | 2.7.1.100 | 0.455 | |
| 2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.454 | |
| 2ojg | 19A | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.454 | |
| 2yac | 937 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.451 | |
| 3hxf | BD9 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.451 | |
| 4dlc | UMP | Deoxyuridine triphosphatase, putative | / | 0.450 | |
| 1lkd | BP6 | Biphenyl-2,3-diol 1,2-dioxygenase | 1.13.11.39 | 0.449 | |
| 1jf0 | CZH | Obelin | / | 0.448 | |
| 2plm | SIB | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | 3.5.4.28 | 0.447 | |
| 3arz | I5I | Chitinase A | / | 0.447 | |
| 1el4 | CTZ | Obelin | / | 0.446 | |
| 1rft | PXM | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
| 4g34 | 924 | Eukaryotic translation initiation factor 2-alpha kinase 3 | 2.7.11.1 | 0.446 | |
| 4jq4 | IMN | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
| 1fwm | CB3 | Thymidylate synthase | / | 0.444 | |
| 2xnp | WCX | Serine/threonine-protein kinase Nek2 | 2.7.11.1 | 0.444 | |
| 2z2w | 770 | Wee1-like protein kinase | 2.7.10.2 | 0.444 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.444 | |
| 1qv1 | CZH | Obelin | / | 0.443 | |
| 1uhh | CZP | Aequorin-2 | / | 0.443 | |
| 3c72 | CX1 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.443 | |
| 4s1h | ADP | Pyridoxal kinase, putative | / | 0.443 | |
| 1kw6 | BPY | Biphenyl-2,3-diol 1,2-dioxygenase | 1.13.11.39 | 0.442 | |
| 1rpw | DID | HTH-type transcriptional regulator QacR | / | 0.442 | |
| 3uxh | UXH | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.442 | |
| 5d7q | AR6 | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.442 | |
| 1dlr | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1pr4 | MTP | Purine nucleoside phosphorylase DeoD-type | / | 0.440 | |
| 3cqe | P91 | Wee1-like protein kinase | 2.7.10.2 | 0.440 | |
| 3jq6 | DX1 | Pteridine reductase, putative | / | 0.440 | |
| 4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.440 | |
| 4o7u | THF | Thymidylate synthase | / | 0.440 |