1aoe
;CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345) ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1aoe |
| deposition_date | 1997-07-02 |
| title | ;CANDIDA ALBICANS DIHYDROFOLATE REDUCTASE COMPLEXED WITH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE (NADPH) AND 1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QUINAZOLINE (GW345) ; |
| keywords | OXIDOREDUCTASE, ANTIFUNGAL TARGET, REDUCTASE; OXIDOREDUCTASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 25.60 Å |
| rg_electron | 24.85 Å |
| i0 | 34787500.00 |
| molecular_weight | 46150.0 kDa |
| excluded_volume | 58093 ų |
| envelope_volume | 70497 ų |
| shell_volume | 24409 ų |
| envelope_diameter | 85.3 Å |
| shell_rg | 31.21 Å |
| envelope_rg | 24.91 Å |
| shape_rg | 24.86 Å |
| total_rg | 25.56 Å |
| total_atoms | 3250 |
| n_residues | 384 |
| 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 | 84.6 Å |
| rg_real | 25.67 Å |
| rg_real_error | 0.60 Å |
| i0_real | 3.4790e+07 |
| i0_real_error | 4.8690e+05 |
| rg_reciprocal | 25.65 Å |
| i0_reciprocal | 34790000.0000 |
| total_estimate | 0.8795 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 25.9 Å |
| skewness | 0.404 |
| kurtosis | -0.465 |
| angular_range | — – 0.3100 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 6832000.0000 |
| n_real_points | 63 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.959; Smooth: 0.975 |