1bqi
;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 | 1bqi |
| deposition_date | 1998-08-16 |
| 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, PAPAIN; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 17.59 Å |
| rg_electron | 16.39 Å |
| i0 | 10401300.00 |
| molecular_weight | 23843.0 kDa |
| excluded_volume | 29784 ų |
| envelope_volume | 33307 ų |
| shell_volume | 16803 ų |
| envelope_diameter | 54.9 Å |
| shell_rg | 22.69 Å |
| envelope_rg | 16.67 Å |
| shape_rg | 16.38 Å |
| total_rg | 17.46 Å |
| total_atoms | 1684 |
| 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 | 54.5 Å |
| rg_real | 17.47 Å |
| rg_real_error | 0.25 Å |
| i0_real | 1.0400e+07 |
| i0_real_error | 1.1920e+05 |
| rg_reciprocal | 17.49 Å |
| i0_reciprocal | 10400000.0000 |
| total_estimate | 0.8986 |
| solution_quality | GOOD a GOOD solution |
| n_peaks | 2 |
| r_peak_primary | 22.6 Å |
| skewness | 0.150 |
| kurtosis | -0.422 |
| angular_range | — – 0.4500 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 3019000.0000 |
| n_real_points | 76 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.964 |