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 |
|---|---|---|---|
| 2ynh | EUR | Gag-Pol polyprotein | 2.7.7.49 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2ynh | EUR | Gag-Pol polyprotein | 2.7.7.49 | 1.000 | |
| 3dya | PZL | Gag-Pol polyprotein | 2.7.7.49 | 0.664 | |
| 3t1a | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.646 | |
| 3c6u | M22 | Gag-Pol polyprotein | 2.7.7.49 | 0.645 | |
| 3c6t | M14 | Gag-Pol polyprotein | 2.7.7.49 | 0.631 | |
| 4h4m | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.631 | |
| 3t19 | 5MA | Gag-Pol polyprotein | 2.7.7.49 | 0.630 | |
| 3lak | KR1 | Gag-Pol polyprotein | 2.7.7.49 | 0.626 | |
| 3tam | M06 | Gag-Pol polyprotein | 2.7.7.49 | 0.625 | |
| 4h4o | 506 | Gag-Pol polyprotein | 2.7.7.49 | 0.621 | |
| 3lal | KRV | Gag-Pol polyprotein | 2.7.7.49 | 0.620 | |
| 3e01 | PZ2 | Gag-Pol polyprotein | 2.7.7.49 | 0.619 | |
| 2be2 | R22 | Gag-Pol polyprotein | 2.7.7.49 | 0.608 | |
| 4mfb | 29T | Gag-Pol polyprotein | 2.7.7.49 | 0.602 | |
| 3dok | GWJ | Pol protein | / | 0.598 | |
| 3drp | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.586 | |
| 2won | ZZE | Gag-Pol polyprotein | 2.7.7.49 | 0.580 | |
| 4rw6 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.579 | |
| 4rw4 | 494 | Gag-Pol polyprotein | 2.7.7.49 | 0.570 | |
| 4lsl | 1YQ | Gag-Pol polyprotein | 2.7.7.49 | 0.567 | |
| 3drr | R8E | Gag-Pol polyprotein | 2.7.7.49 | 0.557 | |
| 1rt1 | MKC | Gag-Pol polyprotein | 2.7.7.49 | 0.551 | |
| 2ynf | WHU | Gag-Pol polyprotein | 2.7.7.49 | 0.550 | |
| 3dmj | GWE | Pol protein | / | 0.542 | |
| 2b5j | 3AC | Gag-Pol polyprotein | 2.7.7.49 | 0.540 | |
| 3dlg | GWE | Gag-Pol polyprotein | 2.7.7.49 | 0.527 | |
| 3dle | GFA | Gag-Pol polyprotein | 2.7.7.49 | 0.525 | |
| 3dol | GWI | Pol protein | / | 0.521 | |
| 1c1b | GCA | Gag-Pol polyprotein | 2.7.7.49 | 0.508 | |
| 1rti | HEF | Gag-Pol polyprotein | 2.7.7.49 | 0.494 | |
| 3nbp | JGZ | Gag-Pol polyprotein | 2.7.7.49 | 0.492 | |
| 1jla | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.487 | |
| 1c1c | 612 | Gag-Pol polyprotein | 2.7.7.49 | 0.483 | |
| 3irx | UDR | Gag-Pol polyprotein | 2.7.7.49 | 0.482 | |
| 3di6 | PDZ | Gag-Pol polyprotein | 2.7.7.49 | 0.479 | |
| 1zdw | FLV | Prenyltransferase | / | 0.464 | |
| 2jih | 097 | A disintegrin and metalloproteinase with thrombospondin motifs 1 | 3.4.24 | 0.464 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.464 | |
| 3qlh | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.463 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.463 | |
| 3zhb | NAP | Putative dehydrogenase | / | 0.460 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 4i8v | BHF | Cytochrome P450 1A1 | 1.14.14.1 | 0.455 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.453 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.452 | |
| 4ia3 | BIV | Vitamin D3 receptor A | / | 0.452 | |
| 3tea | 4CO | 4-hydroxybenzoyl-CoA thioesterase | 3.1.2.23 | 0.451 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.451 | |
| 4kf1 | HT5 | Aryldialkylphosphatase | 3.1.8.1 | 0.449 | |
| 1s1v | TNK | Gag-Pol polyprotein | 2.7.7.49 | 0.448 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.448 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 3vt6 | 5YI | Vitamin D3 receptor | / | 0.448 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.447 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.446 | |
| 3gph | OID | Cytochrome P450 2E1 | 1.14.13 | 0.445 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.444 | |
| 3i0s | RT7 | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 4fhh | 0U3 | Vitamin D3 receptor A | / | 0.444 | |
| 7cat | NDP | Catalase | 1.11.1.6 | 0.443 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.442 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.442 | |
| 4eiy | ZMA | Adenosine receptor A2a | / | 0.442 | |
| 4iq7 | 1G9 | Mycocyclosin synthase | 1.14.21.9 | 0.441 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.440 | |
| 3zux | TCH | Transporter | / | 0.440 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 5cwa | 0GA | Anthranilate synthase component 1 | 4.1.3.27 | 0.440 |