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 |
|---|---|---|---|
| 1ht2 | ADP | ATP-dependent protease ATPase subunit HslU |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ht2 | ADP | ATP-dependent protease ATPase subunit HslU | / | 1.000 | |
| 1e94 | ANP | ATP-dependent protease ATPase subunit HslU | / | 0.599 | |
| 1im2 | ADP | ATP-dependent protease ATPase subunit HslU | / | 0.545 | |
| 1g41 | ADP | ATP-dependent protease ATPase subunit HslU | / | 0.534 | |
| 4fcw | ADP | Chaperone protein ClpB | / | 0.513 | |
| 4fd2 | ADP | Chaperone protein ClpB | / | 0.504 | |
| 2z4s | ADP | Chromosomal replication initiator protein DnaA | / | 0.499 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.498 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.491 | |
| 2phk | ATP | Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform | 2.7.11.19 | 0.490 | |
| 1ofh | ADP | ATP-dependent protease ATPase subunit HslU | / | 0.487 | |
| 1p31 | EPU | UDP-N-acetylmuramate--L-alanine ligase | 6.3.2.8 | 0.476 | |
| 2qoc | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.476 | |
| 3gbu | ATP | Uncharacterized sugar kinase PH1459 | 2.7.1 | 0.472 | |
| 1gld | ADP | Glycerol kinase | / | 0.468 | |
| 2c9c | ATP | Psp operon transcriptional activator | / | 0.468 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.468 | |
| 2hen | ADP | Ephrin type-B receptor 2 | 2.7.10.1 | 0.468 | |
| 5iqe | GNP | Bifunctional AAC/APH | 2.3.1 | 0.468 | |
| 4hmv | WUB | Phenazine biosynthesis protein PhzG | 1.4 | 0.467 | |
| 1s3s | ADP | Transitional endoplasmic reticulum ATPase | 3.6.4.6 | 0.466 | |
| 3d8b | ADP | Fidgetin-like protein 1 | 3.6.4 | 0.466 | |
| 3tdv | GDP | Gentamicin resistance protein | / | 0.465 | |
| 1ny5 | ADP | Transcriptional regulator (NtrC family) | / | 0.464 | |
| 3dzd | ADP | Transcriptional regulator (NtrC family) | / | 0.463 | |
| 4qos | ADP | Psp operon transcriptional activator | / | 0.463 | |
| 2qoq | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.462 | |
| 4fog | C2F | Thymidylate synthase ThyA | / | 0.456 | |
| 2qf2 | GDP | Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | 4.1.1.32 | 0.455 | |
| 4b99 | R4L | Mitogen-activated protein kinase 7 | 2.7.11.24 | 0.455 | |
| 4ge7 | 0K5 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.455 | |
| 1w5s | ADP | ORC1-type DNA replication protein 2 | / | 0.454 | |
| 1a72 | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.453 | |
| 4wuj | FMN | Glycoside hydrolase family 15, cellulose signaling associated protein envoy | / | 0.453 | |
| 2xvd | AS6 | Ephrin type-B receptor 4 | 2.7.10.1 | 0.452 | |
| 4fl2 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.452 | |
| 4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.452 | |
| 4lj9 | ACP | Chaperone protein ClpB | / | 0.452 | |
| 1z6t | ADP | Apoptotic protease-activating factor 1 | / | 0.451 | |
| 3bgx | TMP | Thymidylate synthase | / | 0.451 | |
| 4fuy | EK2 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.451 | |
| 4lj8 | ADP | Chaperone protein ClpB | / | 0.451 | |
| 3ge1 | ADP | Glycerol kinase | / | 0.450 | |
| 5iqi | GNP | Bifunctional AAC/APH | 2.3.1 | 0.450 | |
| 4h2n | FAD | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase | / | 0.449 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.448 | |
| 2bhi | SFT | Cytotoxin 3 | / | 0.448 | |
| 3hrf | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.448 | |
| 3nga | 3NG | Casein kinase II subunit alpha | 2.7.11.1 | 0.448 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4oa9 | ANP | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.447 | |
| 4ork | GDP | Bifunctional AAC/APH | 2.3.1 | 0.447 | |
| 5dld | UD1 | UDP-N-Acetylglucosamine 2-epimerase | / | 0.447 | |
| 3b6d | FAE | Cholesterol oxidase | 1.1.3.6 | 0.446 | |
| 3iw1 | ASD | Steroid C26-monooxygenase | 1.14.13.141 | 0.446 | |
| 4jky | ADP | Adenylate kinase | / | 0.446 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1tys | TMP | Thymidylate synthase | / | 0.445 | |
| 2pan | TDP | Glyoxylate carboligase | 4.1.1.47 | 0.445 | |
| 2ycr | HCW | Serine/threonine-protein kinase Chk2 | 2.7.11.1 | 0.445 | |
| 4gk4 | L90 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.445 | |
| 3jvv | ACP | Twitching mobility protein | / | 0.444 | |
| 4kqw | NAP | Ketol-acid reductoisomerase (NADP(+)) | / | 0.444 | |
| 2oj9 | BMI | Insulin-like growth factor 1 receptor | 2.7.10.1 | 0.442 | |
| 2w2l | NAD | D-mandelate dehydrogenase | / | 0.442 | |
| 3cnj | FAD | Cholesterol oxidase | 1.1.3.6 | 0.442 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 3tdw | GDP | Gentamicin resistance protein | / | 0.442 | |
| 3zep | 1NX | Tyrosine-protein kinase JAK3 | 2.7.10.2 | 0.442 | |
| 4hjf | C2E | GGDEF family protein | / | 0.442 | |
| 4hse | ADP | Chaperone protein ClpB | / | 0.442 | |
| 4jln | 18V | Deoxycytidine kinase | 2.7.1.74 | 0.442 | |
| 4jlo | ADP | Adenylate kinase | / | 0.442 | |
| 4n57 | ADP | APH(2'')-Id | / | 0.442 | |
| 1nq1 | 4HY | Thyroid hormone receptor beta | / | 0.441 | |
| 1zp9 | ATP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.441 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.441 | |
| 2pd7 | FAD | Vivid PAS protein VVD | / | 0.441 | |
| 3kb6 | NAD | D-lactate dehydrogenase | / | 0.441 | |
| 4d81 | ADP | AAA ATPase, central domain protein | / | 0.441 | |
| 4mq1 | 2C3 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2.7.12.1 | 0.441 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.440 | |
| 1qvr | ANP | Chaperone protein ClpB | / | 0.440 | |
| 2c96 | ATP | Psp operon transcriptional activator | / | 0.440 | |
| 3c1y | 2BA | DNA integrity scanning protein DisA | / | 0.440 | |
| 4fmq | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.440 |