1c5v
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1c5v |
| deposition_date | 1999-12-22 |
| title | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR |
| keywords | selective, S1 site inhibitor, structure-based drug design, urokinase, trypsin, thrombin, HYDROLASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.19 Å |
| rg_electron | 16.09 Å |
| i0 | 10538200.00 |
| molecular_weight | 23376.0 kDa |
| excluded_volume | 28913 ų |
| envelope_volume | 31806 ų |
| shell_volume | 16364 ų |
| envelope_diameter | 54.1 Å |
| shell_rg | 22.36 Å |
| envelope_rg | 16.29 Å |
| shape_rg | 16.08 Å |
| total_rg | 17.08 Å |
| total_atoms | 3222 |
| 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 | 55.5 Å |
| rg_real | 17.07 Å |
| rg_real_error | 0.23 Å |
| i0_real | 1.0540e+07 |
| i0_real_error | 1.0520e+05 |
| rg_reciprocal | 17.09 Å |
| i0_reciprocal | 10540000.0000 |
| total_estimate | 0.8106 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 1 |
| r_peak_primary | 52.5 Å |
| skewness | 0.111 |
| kurtosis | -0.467 |
| angular_range | — – 0.4650 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2823000.0000 |
| n_real_points | 77 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000 |