9q7x
Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9q7x |
| deposition_date | 2025-08-25 |
| last_revision | 2025-09-10 |
| title | Crystal structure of the MKP5 loop mutant N448A in complex with the allosteric inhibitor |
| keywords | MKP5, allosteric inhibitor, allosteric site, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 35.13 Å |
| rg_electron | 34.51 Å |
| i0 | 155559000.00 |
| molecular_weight | 102700.0 kDa |
| excluded_volume | 129460 ų |
| envelope_volume | 164880 ų |
| shell_volume | 40920 ų |
| envelope_diameter | 109.6 Å |
| shell_rg | 40.31 Å |
| envelope_rg | 34.10 Å |
| shape_rg | 34.52 Å |
| total_rg | 34.88 Å |
| total_atoms | 14328 |
| n_residues | 882 |
| n_harmonics | 20 |
| q_range | — – 0.5000 Å−1 |
| n_points | 101 |
| shell_type | directional |
| solvent_density | 0.3340 e/ų |
| contrast_shell | 0.0300 e/ų |
| crysol_version | 4.1.3 |
3. P(r) Analysis (GNOM)
| dmax | 107.8 Å |
| rg_real | 35.01 Å |
| rg_real_error | 0.73 Å |
| i0_real | 1.5560e+08 |
| i0_real_error | 2.4390e+06 |
| rg_reciprocal | 35.09 Å |
| i0_reciprocal | 155600000.0000 |
| total_estimate | 0.9095 |
| solution_quality | EXCELLENT a EXCELLENT solution |
| n_peaks | 1 |
| r_peak_primary | 45.5 Å |
| skewness | 0.101 |
| kurtosis | -0.703 |
| angular_range | — – 0.2250 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 20060000.0000 |
| n_real_points | 46 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.977; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.890 |