1boz
;STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1boz |
| deposition_date | 1998-08-06 |
| title | ;STRUCTURE-BASED DESIGN AND SYNTHESIS OF LIPOPHILIC 2,4-DIAMINO-6-SUBSTITUTED QUINAZOLINES AND THEIR EVALUATION AS INHIBITORS OF DIHYDROFOLATE REDUCTASE AND POTENTIAL ANTITUMOR AGENTS ; |
| keywords | OXIDOREDUCTASE; OXIDOREDUCTASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.29 Å |
| rg_electron | 16.05 Å |
| i0 | 9249770.00 |
| molecular_weight | 22317.0 kDa |
| excluded_volume | 27901 ų |
| envelope_volume | 31614 ų |
| shell_volume | 16270 ų |
| envelope_diameter | 53.1 Å |
| shell_rg | 22.34 Å |
| envelope_rg | 16.41 Å |
| shape_rg | 16.04 Å |
| total_rg | 17.14 Å |
| total_atoms | 1568 |
| n_residues | 186 |
| 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 | 54.0 Å |
| rg_real | 17.16 Å |
| rg_real_error | 0.27 Å |
| i0_real | 9.2500e+06 |
| i0_real_error | 1.1280e+05 |
| rg_reciprocal | 17.18 Å |
| i0_reciprocal | 9250000.0000 |
| total_estimate | 0.8909 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 23.5 Å |
| skewness | 0.114 |
| kurtosis | -0.379 |
| angular_range | — – 0.4600 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2152000.0000 |
| n_real_points | 77 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.865; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.996 |