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 |
---|---|---|---|
3ogq | AB1 | Pol polyprotein |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3ogq | AB1 | Pol polyprotein | / | 1.000 | |
1wbk | 568 | Pol protein | / | 0.493 | |
3s85 | LK0 | Gag-Pol polyprotein | / | 0.492 | |
1idb | 0DO | Gag-Pol polyprotein | / | 0.487 | |
1eby | BEB | Gag-Pol polyprotein | 3.4.23.16 | 0.481 | |
1w5y | BE6 | Gag-Pol polyprotein | 3.4.23.16 | 0.480 | |
2wkz | 5AH | Gag-Pol polyprotein | / | 0.480 | |
2bqv | A1A | Protease | / | 0.479 | |
4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.478 | |
1c6y | MK1 | Protease | / | 0.477 | |
1hsh | MK1 | Gag-Pol polyprotein | / | 0.474 | |
2qhc | AB1 | Protease | / | 0.474 | |
2qnn | QN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.474 | |
3kdd | JZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.473 | |
1ivp | 1ZK | Gag-Pol polyprotein | / | 0.471 | |
1sbg | IM1 | Gag-Pol polyprotein | / | 0.470 | |
1vik | BAY | Gag-Pol polyprotein | / | 0.470 | |
2f8g | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.469 | |
1tcx | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
1xl5 | 190 | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
1b6k | PI5 | Gag-Pol polyprotein | 3.4.23.16 | 0.467 | |
1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.467 | |
4njv | RIT | Protease | / | 0.467 | |
1ebw | BEI | Gag-Pol polyprotein | 3.4.23.16 | 0.466 | |
3aid | ARQ | Gag-Pol polyprotein | 3.4.23.16 | 0.466 | |
1ebz | BEC | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
1mui | AB1 | Protease | / | 0.465 | |
1w5x | BE5 | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
3ckt | YDP | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
1d4k | PI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
1vij | BAY | Gag-Pol polyprotein | / | 0.464 | |
2uy0 | HV1 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
1d4i | BEG | Gag-Pol polyprotein | 3.4.23.16 | 0.463 | |
1d4h | BEH | Gag-Pol polyprotein | 3.4.23.16 | 0.462 | |
1d4j | MSC | Gag-Pol polyprotein | 3.4.23.16 | 0.462 | |
1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
3d1z | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
3oxv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
1sdv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
1yt9 | OIS | Gag-Pol polyprotein | / | 0.460 | |
2aid | THK | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
1ec0 | BED | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
3ggu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
3kdc | JZP | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
4njs | G08 | Protease | / | 0.458 | |
2f80 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
3jvw | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
3zpt | M8Y | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
1bdr | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
2a4f | AAU | V-1 protease | / | 0.455 | |
3djk | G55 | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
3ggx | GGX | Gag-Pol polyprotein | / | 0.455 | |
1ec2 | BEJ | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
1w5v | BE3 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
3vfb | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
2q5k | AB1 | Protease | / | 0.452 | |
2r5q | 1UN | Gag-Pol polyprotein | / | 0.452 | |
3liq | E14 | Protease | / | 0.452 | |
4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
2qd8 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.451 | |
3lix | E17 | Protease | / | 0.451 | |
1hvi | A77 | Protease | / | 0.450 | |
1odw | 0E8 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
2bb9 | AKC | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
2bpv | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.450 | |
3kf0 | 3TL | Gag-Pol polyprotein | / | 0.450 | |
3kfn | 3TL | Gag-Pol polyprotein | / | 0.450 | |
3vf5 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
1t7j | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
1z1h | HBB | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
2aqu | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
3a2o | KNJ | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
1bdl | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
1c70 | L75 | Protease | / | 0.448 | |
1qbs | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
2cen | 4AH | Protease | / | 0.448 | |
3nls | 016 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
3s54 | 017 | Protease | / | 0.448 | |
1a9m | U0E | Gag-Pol polyprotein | / | 0.447 | |
1hvr | XK2 | Gag-Pol polyprotein | / | 0.447 | |
2f3k | RO1 | Protease | / | 0.447 | |
3gga | GGW | Gag-Pol polyprotein | / | 0.447 | |
1wbm | BLL | Pol protein | / | 0.446 | |
2bpy | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
2r5p | MK1 | Gag-Pol polyprotein | / | 0.446 | |
3qrm | NK7 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
3sa5 | A69 | Protease | / | 0.446 | |
1hvj | A78 | Gag-Pol polyprotein | / | 0.445 | |
1izh | Q50 | Protease | / | 0.445 | |
1zsf | 0ZS | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2b60 | RIT | Pol polyprotein | / | 0.445 | |
2b7z | MK1 | Gag-Pol polyprotein | / | 0.445 | |
2rkf | AB1 | Pol protein | / | 0.445 | |
3nwx | KVS | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
3oxx | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
1bai | 0Q4 | Gag-Pro polyprotein | / | 0.444 | |
1mtr | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
3el5 | 1UN | Gag-Pol polyprotein | / | 0.444 | |
3ndx | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
3zps | EQM | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
1c6z | ROC | Protease | / | 0.443 | |
1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
1npv | L27 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
2bpw | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
2fxd | DR7 | Pol polyprotein | / | 0.443 | |
2pqz | G0G | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
3dk1 | G05 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
3mws | 017 | Pol protein | / | 0.443 | |
3qp0 | NI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
1bdq | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
1hpv | 478 | Gag-Pol polyprotein | / | 0.442 | |
2hb3 | GRL | Protease | / | 0.442 | |
2r3t | G4G | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
3ekv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
3nu9 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
3t11 | 3T1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
4ye3 | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
1mes | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
2qd6 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
2qd7 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
2xyf | G40 | Gag-Pol polyprotein | / | 0.441 | |
3i6o | GR6 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
3liv | E16 | Protease | / | 0.441 | |
3slz | 3TL | Putative gag-pro-pol polyprotein | / | 0.441 | |
3zpu | M8B | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
4a4q | UX9 | Pol protein | / | 0.441 | |
1hih | C20 | Gag-Pol polyprotein | / | 0.440 | |
2hc0 | AB2 | Protease | / | 0.440 | |
2hs2 | 017 | Protease | / | 0.440 | |
3kfs | 3TL | Gag-Pol polyprotein | / | 0.440 | |
3qrs | NK8 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
4djo | MK5 | Pol polyprotein | / | 0.440 |