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 |
|---|---|---|---|
| 4c2j | COA | 3-ketoacyl-CoA thiolase, mitochondrial | 2.3.1.16 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4c2j | COA | 3-ketoacyl-CoA thiolase, mitochondrial | 2.3.1.16 | 1.000 | |
| 3zbn | COA | 3-ketoacyl-CoA thiolase-like protein | / | 0.498 | |
| 4do3 | 0LA | Fatty-acid amide hydrolase 1 | 3.5.1.99 | 0.482 | |
| 2ibw | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.481 | |
| 4ozt | P1A | Ecdysone receptor, putative | / | 0.471 | |
| 2iby | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.469 | |
| 1wl4 | COA | Acetyl-CoA acetyltransferase, cytosolic | 2.3.1.9 | 0.468 | |
| 4nie | NBH | Nuclear receptor ROR-gamma | / | 0.468 | |
| 1e6e | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.466 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.462 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.462 | |
| 3p6o | ETG | Camphor 5-monooxygenase | 1.14.15.1 | 0.461 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.459 | |
| 3p99 | LNP | Lanosterol 14-alpha-demethylase | / | 0.457 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 5doz | NDP | JamJ | / | 0.457 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.456 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.456 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.455 | |
| 1osv | CHC | Bile acid receptor | / | 0.454 | |
| 4o7u | THF | Thymidylate synthase | / | 0.454 | |
| 2bxo | OPB | Serum albumin | / | 0.453 | |
| 2xvf | FAD | Putative flavin-containing monooxygenase | / | 0.453 | |
| 3gkj | HC3 | Niemann-Pick C1 protein | / | 0.453 | |
| 3sgt | P09 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | / | 0.453 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.453 | |
| 5iu8 | 6DZ | Adenosine receptor A2a | / | 0.453 | |
| 1n83 | CLR | Nuclear receptor ROR-alpha | / | 0.452 | |
| 2ibu | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.452 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.452 | |
| 4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.452 | |
| 2xlr | FAD | Putative flavin-containing monooxygenase | / | 0.451 | |
| 3p6p | A6B | Camphor 5-monooxygenase | 1.14.15.1 | 0.451 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.451 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.450 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.450 | |
| 3bg7 | FAD | Pyranose 2-oxidase | / | 0.450 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 2nsd | 4PI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 5hbr | COA | Acyl-CoA synthetase (NDP forming) | / | 0.449 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.449 | |
| 2c7g | FAD | NADPH-ferredoxin reductase FprA | 1.18.1.2 | 0.448 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.448 | |
| 1soj | IBM | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.447 | |
| 2b00 | GCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.447 | |
| 3nx4 | NAP | Putative oxidoreductase | / | 0.447 | |
| 3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 3wav | DWV | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | 3.1.4.39 | 0.447 | |
| 4dhy | S41 | Glucokinase | 2.7.1.2 | 0.447 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.447 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.447 | |
| 4o9c | COA | Acetyl-CoA acetyltransferase | 2.3.1.9 | 0.447 | |
| 1crb | RTL | Retinol-binding protein 1 | / | 0.446 | |
| 1ppj | ANY | Cytochrome b | / | 0.446 | |
| 2acl | L05 | Oxysterols receptor LXR-alpha | / | 0.446 | |
| 2p15 | EZT | Estrogen receptor | / | 0.446 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.446 | |
| 3tda | PN0 | Cytochrome P450 2D6 | / | 0.446 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.445 | |
| 1kt3 | RTL | Retinol-binding protein 4 | / | 0.445 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.445 | |
| 2bel | CBO | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 3ol5 | SAW | Camphor 5-monooxygenase | 1.14.15.1 | 0.444 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.444 | |
| 3slk | NDP | Polyketide synthase extender module 2 | / | 0.444 | |
| 2e98 | B29 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.443 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.443 | |
| 1fel | FEN | Retinol-binding protein 4 | / | 0.442 | |
| 1xu7 | CPS | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 2aaz | CB3 | Thymidylate synthase | 2.1.1.45 | 0.442 | |
| 2imk | GTX | AGAP009194-PA | / | 0.442 | |
| 2xw7 | NDP | Dihydrofolate reductase | / | 0.442 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.442 | |
| 3ipq | 965 | Oxysterols receptor LXR-alpha | / | 0.442 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.442 | |
| 5iub | CLR | Adenosine receptor A2a | / | 0.442 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.441 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 1d3p | BT3 | Prothrombin | 3.4.21.5 | 0.440 | |
| 1e1n | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.440 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.440 | |
| 3dej | RXC | Caspase-3 | 3.4.22.56 | 0.440 | |
| 3kpk | FAD | Sulfide-quinone reductase | / | 0.440 | |
| 3ngu | ADP | Nucleoside diphosphate kinase | / | 0.440 | |
| 5iua | 6DX | Adenosine receptor A2a | / | 0.440 |