9xri
Crystal structure of MTH1 in complex with acoramidis bound at the active site and protein-protein interface (molar ratio 1:24)
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 9xri |
| deposition_date | 2025-11-19 |
| last_revision | 2026-04-01 |
| title | Crystal structure of MTH1 in complex with acoramidis bound at the active site and protein-protein interface (molar ratio 1:24) |
| keywords | inhibitor, cancer, NUDIX hydrolase, drug repositioning, HYDROLASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 22.14 Å |
| rg_electron | 21.20 Å |
| i0 | 22997300.00 |
| molecular_weight | 37668.0 kDa |
| excluded_volume | 47505 ų |
| envelope_volume | 54457 ų |
| shell_volume | 21870 ų |
| envelope_diameter | 72.5 Å |
| shell_rg | 27.50 Å |
| envelope_rg | 21.40 Å |
| shape_rg | 21.17 Å |
| total_rg | 22.11 Å |
| total_atoms | 2662 |
| n_residues | 312 |
| 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 | 72.5 Å |
| rg_real | 22.17 Å |
| rg_real_error | 0.40 Å |
| i0_real | 2.3000e+07 |
| i0_real_error | 3.2150e+05 |
| rg_reciprocal | 22.17 Å |
| i0_reciprocal | 23000000.0000 |
| total_estimate | 0.8811 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 24.9 Å |
| skewness | 0.428 |
| kurtosis | -0.248 |
| angular_range | — – 0.3600 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 7297000.0000 |
| n_real_points | 68 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.828; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.988 |