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 |
|---|---|---|---|
| 4c5c | ATP | D-alanine--D-alanine ligase B | 6.3.2.4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4c5c | ATP | D-alanine--D-alanine ligase B | 6.3.2.4 | 1.000 | |
| 4c5b | ADP | D-alanine--D-alanine ligase B | 6.3.2.4 | 0.604 | |
| 5bpf | ADP | D-alanine--D-alanine ligase | / | 0.516 | |
| 4z35 | ON9 | Lysophosphatidic acid receptor 1 | / | 0.486 | |
| 4z34 | ON7 | Lysophosphatidic acid receptor 1 | / | 0.468 | |
| 4g1y | 0VO | Vitamin D3 receptor A | / | 0.460 | |
| 1tdu | CB3 | Thymidylate synthase | / | 0.458 | |
| 3vwe | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.457 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.455 | |
| 3a8t | ATP | Adenylate isopentenyltransferase | / | 0.448 | |
| 4ri1 | ACO | UDP-4-amino-4,6-dideoxy-N-acetyl-beta-L-altrosamine N-acetyltransferase | 2.3.1.202 | 0.447 | |
| 3r7c | FAD | FAD-linked sulfhydryl oxidase ALR | 1.8.3.2 | 0.445 | |
| 2vce | U2F | UDP-glycosyltransferase 72B1 | / | 0.444 | |
| 1nht | PGS | Adenylosuccinate synthetase | / | 0.443 | |
| 2uxu | NAR | HTH-type transcriptional regulator TtgR | / | 0.443 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 4jlm | 1NN | Deoxycytidine kinase | 2.7.1.74 | 0.443 | |
| 2dbz | NAP | Glyoxylate reductase | 1.1.1.26 | 0.442 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.442 | |
| 3nax | MP7 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.442 | |
| 1qlh | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 4xzn | NAP | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.441 | |
| 3jq3 | ADP | Lombricine kinase | / | 0.440 | |
| 4ehy | ADP | Tetraacyldisaccharide 4'-kinase | / | 0.440 | |
| 4wq4 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.440 |