1c3e
;NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1c3e |
| deposition_date | 1999-07-27 |
| title | ;NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. ; |
| keywords | PURINE BIOSYNTHESIS, ANTI-CANCER AGENT, INHIBITOR COMPLEX, TRANSFERASE; TRANSFERASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 26.68 Å |
| rg_electron | 25.80 Å |
| i0 | 38561300.00 |
| molecular_weight | 47365.0 kDa |
| excluded_volume | 58950 ų |
| envelope_volume | 71213 ų |
| shell_volume | 23619 ų |
| envelope_diameter | 88.4 Å |
| shell_rg | 32.30 Å |
| envelope_rg | 25.62 Å |
| shape_rg | 25.76 Å |
| total_rg | 26.62 Å |
| total_atoms | 3342 |
| n_residues | 418 |
| 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 | 85.3 Å |
| rg_real | 26.75 Å |
| rg_real_error | 0.74 Å |
| i0_real | 3.8560e+07 |
| i0_real_error | 5.9180e+05 |
| rg_reciprocal | 26.73 Å |
| i0_reciprocal | 38560000.0000 |
| total_estimate | 0.8932 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 26.0 Å |
| skewness | 0.336 |
| kurtosis | -0.592 |
| angular_range | — – 0.2950 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 6544000.0000 |
| n_real_points | 60 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.907; Smooth: 0.951 |