1axr
;COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1axr |
| deposition_date | 1997-10-20 |
| title | ;COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B ; |
| keywords | TRANSFERASE, GLYCOSIDASES, GLYCOGEN PHOSPHORYLASE, CATALYTIC MECHANISM, AZOLOPYRIDINES, INHIBITORS; TRANSFERASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 28.54 Å |
| rg_electron | 27.60 Å |
| i0 | 146777000.00 |
| molecular_weight | 96210.0 kDa |
| excluded_volume | 120480 ų |
| envelope_volume | 139880 ų |
| shell_volume | 40640 ų |
| envelope_diameter | 97.0 Å |
| shell_rg | 36.43 Å |
| envelope_rg | 27.95 Å |
| shape_rg | 27.62 Å |
| total_rg | 28.37 Å |
| total_atoms | 6781 |
| n_residues | 829 |
| 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 | 92.1 Å |
| rg_real | 28.42 Å |
| rg_real_error | 0.55 Å |
| i0_real | 1.4680e+08 |
| i0_real_error | 2.1800e+06 |
| rg_reciprocal | 28.47 Å |
| i0_reciprocal | 146800000.0000 |
| total_estimate | 0.8940 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 34.5 Å |
| skewness | 0.213 |
| kurtosis | -0.457 |
| angular_range | — – 0.2800 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 36360000.0000 |
| n_real_points | 57 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.876; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.992 |