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 |
---|---|---|---|
3lix | E17 | Protease |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3lix | E17 | Protease | / | 1.000 | |
3liq | E14 | Protease | / | 0.539 | |
3lin | E13 | Protease | / | 0.526 | |
3liv | E16 | Protease | / | 0.495 | |
1ec2 | BEJ | Gag-Pol polyprotein | 3.4.23.16 | 0.474 | |
3s85 | LK0 | Gag-Pol polyprotein | / | 0.474 | |
1vik | BAY | Gag-Pol polyprotein | / | 0.466 | |
2uy0 | HV1 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
2bpz | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.462 | |
3lit | E15 | Protease | / | 0.459 | |
2bpy | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
3nu9 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
1d4s | TPV | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
1w5v | BE3 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
2a4f | AAU | V-1 protease | / | 0.454 | |
2f80 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
1xl5 | 190 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
2fxd | DR7 | Pol polyprotein | / | 0.450 | |
3i2l | 2NC | Protease | / | 0.449 | |
4kb9 | G79 | Protease | / | 0.449 | |
1hsh | MK1 | Gag-Pol polyprotein | / | 0.448 | |
3vf5 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
3wsj | MK1 | Protease | / | 0.447 | |
3zps | EQM | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
1hvi | A77 | Protease | / | 0.446 | |
2qd8 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2qhc | AB1 | Protease | / | 0.445 | |
2qnn | QN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2pk6 | O33 | V-1 protease | / | 0.444 | |
2wkz | 5AH | Gag-Pol polyprotein | / | 0.444 | |
3a2o | KNJ | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
3ggx | GGX | Gag-Pol polyprotein | / | 0.444 | |
3nu6 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
3sa9 | A68 | Protease | / | 0.444 | |
4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
4hdf | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
1c70 | L75 | Protease | / | 0.443 | |
2ieo | 017 | Protease | / | 0.443 | |
3oxv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
1mes | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
1sdv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
1wbk | 568 | Pol protein | / | 0.442 | |
2qi5 | MZ7 | Gag-Pol polyprotein | / | 0.442 | |
2uxz | HI1 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
1ec0 | BED | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
1w5x | BE5 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
2bqv | A1A | Protease | / | 0.441 | |
2fdd | 385 | Pol protein | / | 0.441 | |
3el4 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
4ye3 | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
1bv7 | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
1c6z | ROC | Protease | / | 0.440 | |
1d4y | TPV | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
1ivp | 1ZK | Gag-Pol polyprotein | / | 0.440 | |
1meu | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.440 | |
3bxs | DRS | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3jvw | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3s54 | 017 | Protease | / | 0.440 | |
3tl9 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.440 |