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 |
|---|---|---|---|
| 4jvq | 1ML | Genome polyprotein | 2.7.7.48 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4jvq | 1ML | Genome polyprotein | 2.7.7.48 | 1.000 | |
| 4ju2 | 1O0 | Genome polyprotein | 2.7.7.48 | 0.650 | |
| 4ju1 | 1NZ | Genome polyprotein | 2.7.7.48 | 0.595 | |
| 4jtw | 1NU | Genome polyprotein | 2.7.7.48 | 0.575 | |
| 4jty | 1NV | Genome polyprotein | 2.7.7.48 | 0.563 | |
| 2gir | NN3 | Genome polyprotein | 2.7.7.48 | 0.545 | |
| 3cj3 | SX4 | Genome polyprotein | 2.7.7.48 | 0.526 | |
| 2d3u | CCT | Polyprotein | / | 0.512 | |
| 2o5d | VR1 | Genome polyprotein | 2.7.7.48 | 0.481 | |
| 2imk | GTX | AGAP009194-PA | / | 0.477 | |
| 2cci | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.473 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 3h86 | AP5 | Adenylate kinase | / | 0.466 | |
| 1nhv | 154 | Genome polyprotein | 2.7.7.48 | 0.462 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.460 | |
| 3uwl | FOZ | Thymidylate synthase | / | 0.460 | |
| 4p2l | FAD | Sulfhydryl oxidase 1 | 1.8.3.2 | 0.460 | |
| 1uuo | BRF | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.459 | |
| 2eer | NAD | NAD-dependent alcohol dehydrogenase | 1.1.1.1 | 0.459 | |
| 2ycx | P32 | Beta-1 adrenergic receptor | / | 0.459 | |
| 1kzu | RG1 | Light-harvesting protein B-800/850 alpha chain | / | 0.458 | |
| 1kzu | RG1 | Light-harvesting protein B-800/850 beta chain | / | 0.458 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.456 | |
| 4o70 | 1QK | Bromodomain-containing protein 4 | / | 0.454 | |
| 3p3e | 3P3 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | / | 0.453 | |
| 4f6s | 0SQ | Cyclin-dependent kinase 8 | 2.7.11.22 | 0.453 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.453 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.452 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.452 | |
| 2c0o | L2G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.452 | |
| 3byz | H11 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.452 | |
| 4ph9 | IBP | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.452 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.451 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.451 | |
| 4pd6 | URI | Nucleoside permease | / | 0.451 | |
| 1pmn | 984 | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.450 | |
| 2bx8 | AZQ | Serum albumin | / | 0.450 | |
| 4bva | T3 | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.450 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2a0c | CK9 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.449 | |
| 3efw | AK8 | Aurora kinase A | 2.7.11.1 | 0.449 | |
| 3vfq | AR6 | Poly [ADP-ribose] polymerase 14 | 2.4.2.30 | 0.449 | |
| 4i3w | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.449 | |
| 2j5x | GSP | ADP-ribosylation factor 6 | / | 0.448 | |
| 3gc9 | B45 | Mitogen-activated protein kinase 11 | 2.7.11.24 | 0.448 | |
| 1hrv | SDZ | Genome polyprotein | / | 0.447 | |
| 2oye | IM8 | Prostaglandin G/H synthase 1 | 1.14.99.1 | 0.447 | |
| 3tti | KBI | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.447 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.447 | |
| 1t09 | NAP | Isocitrate dehydrogenase [NADP] cytoplasmic | 1.1.1.42 | 0.446 | |
| 3c0g | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.446 | |
| 3vuf | ADP | Granule-bound starch synthase 1, chloroplastic/amyloplastic | 2.4.1.242 | 0.446 | |
| 4nxx | GDP | Mitochondrial dynamics protein MID51 | / | 0.446 | |
| 5fm7 | ADP | RuvB-like helicase | / | 0.446 | |
| 1il0 | CAA | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.445 | |
| 1fdu | NAP | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1l3i | SAH | Probable cobalt-precorrin-6B C(15)-methyltransferase (decarboxylating) | / | 0.444 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.444 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.444 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.444 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 4bdi | HAU | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.444 | |
| 4do3 | 0LA | Fatty-acid amide hydrolase 1 | 3.5.1.99 | 0.444 | |
| 5ch7 | MGD | DMSO reductase family type II enzyme, molybdopterin subunit | / | 0.444 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3ox4 | NAD | Alcohol dehydrogenase 2 | 1.1.1.1 | 0.443 | |
| 4c2j | COA | 3-ketoacyl-CoA thiolase, mitochondrial | 2.3.1.16 | 0.443 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.443 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 2a84 | ATP | Pantothenate synthetase | 6.3.2.1 | 0.442 | |
| 3jyn | NDP | Quinone oxidoreductase | / | 0.442 | |
| 2nom | DUT | Poly(A) polymerase, putative | / | 0.441 | |
| 3fql | 79Z | Genome polyprotein | 2.7.7.48 | 0.441 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.441 | |
| 4kcf | AKM | FAD-dependent oxidoreductase | / | 0.441 | |
| 1jra | FAD | FAD-linked sulfhydryl oxidase ERV2 | 1.8.3.2 | 0.440 | |
| 1kt3 | RTL | Retinol-binding protein 4 | / | 0.440 | |
| 1qmf | KEF | Penicillin-binding protein 2x | / | 0.440 | |
| 1uum | AFI | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1.3.5.2 | 0.440 | |
| 2cvz | NDP | 3-hydroxyisobutyrate dehydrogenase | / | 0.440 | |
| 2hqp | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.440 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4xey | 1N1 | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.440 | |
| 4yt5 | H4M | H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338 | / | 0.440 | |
| 5dp2 | NAP | CurF | / | 0.440 |