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 |
|---|---|---|---|
| 2zth | SAM | Catechol O-methyltransferase | 2.1.1.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2zth | SAM | Catechol O-methyltransferase | 2.1.1.6 | 1.000 | |
| 3nwb | 659 | Catechol O-methyltransferase | 2.1.1.6 | 0.538 | |
| 3hvi | 619 | Catechol O-methyltransferase | 2.1.1.6 | 0.528 | |
| 3oe4 | 610 | Catechol O-methyltransferase | 2.1.1.6 | 0.521 | |
| 3hvk | 719 | Catechol O-methyltransferase | 2.1.1.6 | 0.503 | |
| 5fhq | DNC | Catechol O-methyltransferase | 2.1.1.6 | 0.496 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.476 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.471 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.469 | |
| 1hpz | AAP | Gag-Pol polyprotein | 2.7.7.49 | 0.468 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.466 | |
| 2dv7 | SAH | Diphthine synthase | / | 0.465 | |
| 3bgv | SAH | mRNA cap guanine-N7 methyltransferase | 2.1.1.56 | 0.463 | |
| 3p9k | SAH | Caffeic acid O-methyltransferase | / | 0.459 | |
| 3t7s | SAM | Uncharacterized protein | / | 0.459 | |
| 1it7 | GUN | tRNA-guanine(15) transglycosylase | 2.4.2.48 | 0.458 | |
| 4blw | SAH | Ribosomal RNA large subunit methyltransferase J | / | 0.457 | |
| 1ib0 | NAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.455 | |
| 3grv | ADN | Probable ribosomal RNA small subunit methyltransferase A | / | 0.455 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.455 | |
| 3h03 | UBP | Glutamate receptor 2 | / | 0.454 | |
| 2iea | TDP | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.453 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.453 | |
| 4rtm | SAM | DNA adenine methylase | 2.1.1.72 | 0.453 | |
| 2qta | TDP | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.452 | |
| 4wa9 | AXI | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.452 | |
| 3kpj | SAH | Phenylethanolamine N-methyltransferase | 2.1.1.28 | 0.451 | |
| 3pll | F06 | Endothiapepsin | 3.4.23.22 | 0.451 | |
| 4z0g | 5GP | Inosine-5'-monophosphate dehydrogenase | / | 0.451 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.451 | |
| 3ssm | SAH | Mycinamicin VI 2''-O-methyltransferase | / | 0.450 | |
| 3v97 | SAH | Ribosomal RNA large subunit methyltransferase K/L | 2.1.1.173 | 0.450 | |
| 1syn | F89 | Thymidylate synthase | / | 0.449 | |
| 2psj | CEI | Renilla-luciferin 2-monooxygenase | 1.13.12.5 | 0.449 | |
| 3ozr | OZR | Catechol O-methyltransferase | 2.1.1.6 | 0.449 | |
| 3r02 | UNM | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.449 | |
| 4jq8 | KJ8 | Epidermal growth factor receptor | 2.7.10.1 | 0.449 | |
| 1jq3 | AAT | Polyamine aminopropyltransferase | / | 0.448 | |
| 1tl1 | H18 | Gag-Pol polyprotein | 2.7.7.49 | 0.448 | |
| 2jed | LG8 | Protein kinase C theta type | 2.7.11.13 | 0.448 | |
| 4eoi | 1RO | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.448 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.448 | |
| 4rtk | SAH | DNA adenine methylase | 2.1.1.72 | 0.448 | |
| 1i8t | FAD | UDP-galactopyranose mutase | 5.4.99.9 | 0.447 | |
| 2e07 | SAH | Diphthine synthase | / | 0.447 | |
| 1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.446 | |
| 4jq7 | KJQ | Epidermal growth factor receptor | 2.7.10.1 | 0.446 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.445 | |
| 1hnv | TBO | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 2bxm | IMN | Serum albumin | / | 0.444 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3a8w | ATP | Protein kinase C iota type | 2.7.11.13 | 0.443 | |
| 3hf8 | ML0 | Tryptophan 5-hydroxylase 1 | 1.14.16.4 | 0.443 | |
| 3nmh | PYV | Abscisic acid receptor PYL2 | / | 0.443 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3w0y | DS4 | Vitamin D3 receptor | / | 0.443 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2dv4 | SAH | Diphthine synthase | / | 0.442 | |
| 2itp | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.442 | |
| 2p6l | SAH | Diphthine synthase | / | 0.442 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 3l9l | L9L | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 1l8a | TDP | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.441 | |
| 1nbi | SAM | Glycine N-methyltransferase | 2.1.1.20 | 0.441 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2pwy | SAH | tRNA (adenine(58)-N(1))-methyltransferase TrmI | 2.1.1.220 | 0.441 | |
| 4z28 | BTN | Hoefavidin | / | 0.441 | |
| 1crb | RTL | Retinol-binding protein 1 | / | 0.440 | |
| 1y5r | C0R | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 2emu | SAH | Diphthine synthase | / | 0.440 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.440 |