1bp4
;USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1bp4 |
| deposition_date | 1998-08-12 |
| title | ;USE OF PAPAIN AS A MODEL FOR THE STRUCTURE-BASED DESIGN OF CATHEPSIN K INHIBITORS. CRYSTAL STRUCTURES OF TWO PAPAIN INHIBITOR COMPLEXES DEMONSTRATE BINDING TO S'-SUBSITES. ; |
| keywords | HYDROLASE, SULFHYDRYL PROTEINASE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.50 Å |
| rg_electron | 16.30 Å |
| i0 | 10403000.00 |
| molecular_weight | 23912.0 kDa |
| excluded_volume | 29889 ų |
| envelope_volume | 33001 ų |
| shell_volume | 16720 ų |
| envelope_diameter | 57.5 Å |
| shell_rg | 22.72 Å |
| envelope_rg | 16.65 Å |
| shape_rg | 16.28 Å |
| total_rg | 17.38 Å |
| total_atoms | 1689 |
| n_residues | 212 |
| 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 | 56.7 Å |
| rg_real | 17.40 Å |
| rg_real_error | 0.33 Å |
| i0_real | 1.0400e+07 |
| i0_real_error | 1.2810e+05 |
| rg_reciprocal | 17.41 Å |
| i0_reciprocal | 10400000.0000 |
| total_estimate | 0.6605 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 3 |
| r_peak_primary | 21.9 Å |
| skewness | 0.188 |
| kurtosis | -0.337 |
| angular_range | — – 0.4550 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 2909000.0000 |
| n_real_points | 76 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 0.363; Positv: 1.000; Valcen: 1.000; Smooth: 0.000 |