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| Crystal structure of Human TEAD2 in complex with Cobimetinib |
| This entry was created with PDB-REDO version 8.13 using the deposited PDB model version 1.0 |
| From original header | |||||||
|---|---|---|---|---|---|---|---|
| Spacegroup | C 1 2 1 | a: 122.303 Å | b: 61.774 Å | c: 80.361 Å | α: 90.00° | β: 117.70° | γ: 90.00° |
| Resolution | 2.71 Å | Reflections | 12559 | Test set | 1256 (10.0%) | ||
| R | 0.1914 | R-free | 0.2573 | ||||
| According to PDB-REDO | |||||||
| Resolution | 2.71 Å | Reflections | 12559 | Test set | 1256 (10.0%) | ||
| Twin | false | Radiation damage | 83 | ||||
| PDB-REDO files | |||||||
| Re-refined and rebuilt structure | Re-refined (only) structure |
All files
(compressed) |
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| Links | |||||||
| PDBe | RCSB PDB | 3D bionotes | Proteopedia | ||||
| Original | PDB-REDO | |
|---|---|---|
| Crystallographic refinement | ||
| R | 0.2119 | 0.1913 |
| R-free | 0.2669 | 0.2433 |
| Bond length RMS Z-score | 0.724 | 0.595 |
| Bond angle RMS Z-score | 0.843 | 0.780 |
| Model quality | ||
| Ramachandran plot normality | -2.954 17 | -2.023 31 |
| Rotamer normality | -6.357 3 | -4.987 10 |
| Coarse packing | 0.860 82 | 0.942 84 |
| Fine packing | -0.730 64 | -0.386 74 |
| Bump severity | 0.033 25 | 0.014 47 |
| Hydrogen bond satisfaction | 0.928 85 | 0.942 94 |
| WHAT_CHECK | Report | Report |
Kleywegt-like plot |
| Description | Count |
|---|---|
| Rotamers changed | 10 |
| Side chains built | 3 |
| Waters removed | 0 |
| Peptides flipped | 1 |
| Chiralities fixed | 0 |
| Residues fitting density better | 3 |
| Residues fitting density worse | 0 |