1bdk
;AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1bdk |
| deposition_date | 1995-07-28 |
| title | ;AN NMR, CD, MOLECULAR DYNAMICS, AND FLUOROMETRIC STUDY OF THE CONFORMATION OF THE BRADYKININ ANTAGONIST B-9340 IN WATER AND IN AQUEOUS MICELLAR SOLUTIONS ; |
| keywords | BRADYKININ ANTAGONIST, ANTAGONIST; ANTAGONIST |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 7.67 Å |
| rg_electron | 6.60 Å |
| i0 | 66000.30 |
| molecular_weight | 1326.0 kDa |
| excluded_volume | 1675 ų |
| envelope_volume | 1766 ų |
| shell_volume | 2818 ų |
| envelope_diameter | 22.6 Å |
| shell_rg | 10.39 Å |
| envelope_rg | 6.91 Å |
| shape_rg | 6.59 Å |
| total_rg | 8.38 Å |
| total_atoms | 187 |
| n_residues | 5 |
| 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 | 26.4 Å |
| rg_real | 7.70 Å |
| rg_real_error | 0.33 Å |
| i0_real | 6.6000e+04 |
| i0_real_error | 6.6920e+02 |
| rg_reciprocal | 7.70 Å |
| i0_reciprocal | 66000.0000 |
| total_estimate | 0.8665 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 9.0 Å |
| skewness | 0.412 |
| kurtosis | -0.036 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 6260.0000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.804; Stabil: 0.990; Sysdev: 1.000; Positv: 1.000; Valcen: 0.935; Smooth: 0.942 |