sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 2q28 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2q28 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 1.000 | |
| 2jib | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.623 | |
| 2ji6 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.599 | |
| 2ji7 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.588 | |
| 2ji9 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.580 | |
| 2c31 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.570 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.483 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.481 | |
| 3b8z | 294 | A disintegrin and metalloproteinase with thrombospondin motifs 5 | 3.4.24 | 0.478 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 2yph | QQY | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.476 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.472 | |
| 1pdh | FAS | p-hydroxybenzoate hydroxylase | / | 0.470 | |
| 4elf | 35I | Dihydrofolate reductase | / | 0.470 | |
| 2abb | FMN | Pentaerythritol tetranitrate reductase | / | 0.466 | |
| 4br0 | AU1 | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.466 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.464 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.460 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.460 | |
| 4qna | X11 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.460 | |
| 3vx4 | ATP | Putative ABC transporter, ATP-binding protein ComA | / | 0.458 | |
| 5doz | NDP | JamJ | / | 0.457 | |
| 2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.456 | |
| 4ryv | ZEA | Protein LlR18A | / | 0.455 | |
| 3uko | NAD | Alcohol dehydrogenase class-3 | / | 0.453 | |
| 4c0b | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.453 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.452 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.452 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.452 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.452 | |
| 4jlj | 1NM | Deoxycytidine kinase | 2.7.1.74 | 0.452 | |
| 2a4n | COA | Aac(6')-Ii protein | / | 0.451 | |
| 2hy8 | 1ST | Serine/threonine-protein kinase PAK 1 | 2.7.11.1 | 0.451 | |
| 2qk8 | MTX | Dihydrofolate reductase | / | 0.451 | |
| 3itz | P66 | Mitogen-activated protein kinase 14 | / | 0.451 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.449 | |
| 3zia | ADP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.449 | |
| 4cax | 646 | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.449 | |
| 1jom | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1phh | FAD | p-hydroxybenzoate hydroxylase | / | 0.448 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.448 | |
| 3cin | NAD | Myo-inositol-1-phosphate synthase-related protein | / | 0.448 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 2p5n | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.447 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.447 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 1qvn | FRI | Interleukin-2 | / | 0.446 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.446 | |
| 4elh | 53I | Dihydrofolate reductase | / | 0.446 | |
| 2nua | COA | Succinate--CoA ligase [ADP-forming] subunit alpha | 6.2.1.5 | 0.445 | |
| 3ndj | JHZ | Methyltransferase | / | 0.445 | |
| 3q44 | D50 | M1 family aminopeptidase | 3.4.11 | 0.445 | |
| 4elg | 52J | Dihydrofolate reductase | / | 0.445 | |
| 4ji9 | 1M3 | Tyrosine-protein kinase JAK2 | / | 0.445 | |
| 2e9v | 85A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.444 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.443 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 3zuy | TCH | Transporter | / | 0.443 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.443 | |
| 4u9z | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.443 | |
| 1osv | CHC | Bile acid receptor | / | 0.442 | |
| 3uqd | ATP | ATP-dependent 6-phosphofructokinase isozyme 2 | 2.7.1.11 | 0.442 | |
| 3wle | NAD | (R)-specific carbonyl reductase | / | 0.442 | |
| 1v9n | NDP | Malate dehydrogenase | 1.1.1.37 | 0.441 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.441 | |
| 4gki | 0JN | Aminoglycoside 3'-phosphotransferase AphA1-IAB | / | 0.441 | |
| 4nie | NBH | Nuclear receptor ROR-gamma | / | 0.441 | |
| 4pmj | NAP | Putative oxidoreductase | / | 0.441 | |
| 2fhl | BNI | Avidin-related protein 4/5 | / | 0.440 | |
| 3p8i | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.440 |