1btp
;UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1btp |
| deposition_date | 1995-08-11 |
| title | ;UNIQUE BINDING OF A NOVEL SYNTHETIC INHIBITOR, N-[3-[4-[4-(AMIDINOPHENOXY)-CARBONYL]PHENYL]-2-METHYL-2-PROPENOYL]-N-ALLYLGLYCINE METHANESULFONATE TO BOVINE TRYPSIN, REVEALED BY THE CRYSTAL STRUCTURE OF THE COMPLEX ; |
| keywords | HYDROLASE (SERINE PROTEINASE); HYDROLASE (SERINE PROTEINASE) |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.18 Å |
| rg_electron | 16.08 Å |
| i0 | 10500000.00 |
| molecular_weight | 23352.0 kDa |
| excluded_volume | 28891 ų |
| envelope_volume | 31917 ų |
| shell_volume | 16412 ų |
| envelope_diameter | 52.4 Å |
| shell_rg | 22.31 Å |
| envelope_rg | 16.28 Å |
| shape_rg | 16.06 Å |
| total_rg | 17.07 Å |
| total_atoms | 1630 |
| n_residues | 223 |
| 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 | 58.1 Å |
| rg_real | 17.06 Å |
| rg_real_error | 0.36 Å |
| i0_real | 1.0500e+07 |
| i0_real_error | 1.1840e+05 |
| rg_reciprocal | 17.07 Å |
| i0_reciprocal | 10500000.0000 |
| total_estimate | 0.7840 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 3 |
| r_peak_primary | 22.9 Å |
| skewness | 0.110 |
| kurtosis | -0.475 |
| angular_range | — – 0.4650 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 3067000.0000 |
| n_real_points | 77 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.735; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000 |