1bfz
;BOUND CONFORMATION OF N-TERMINAL CLEAVAGE PRODUCT PEPTIDE MIMIC (P1-P9 OF RELEASE SITE) WHILE BOUND TO HCMV PROTEASE AS DETERMINED BY TRANSFERRED NOESY EXPERIMENTS (P1-P5 SHOWN ONLY), NMR, 32 STRUCTURES ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1bfz |
| deposition_date | 1998-05-25 |
| title | ;BOUND CONFORMATION OF N-TERMINAL CLEAVAGE PRODUCT PEPTIDE MIMIC (P1-P9 OF RELEASE SITE) WHILE BOUND TO HCMV PROTEASE AS DETERMINED BY TRANSFERRED NOESY EXPERIMENTS (P1-P5 SHOWN ONLY), NMR, 32 STRUCTURES ; |
| keywords | SUBSTRIATE CLEAVAGE, BOUND CONFORMATION, EXTENDED CONFORMATION, substrate-based competitive inhibitor design; PEPTIDE |
| method | SOLUTION NMR |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 4.38 Å |
| rg_electron | 5.19 Å |
| i0 | 4399850.00 |
| molecular_weight | 19543.0 kDa |
| excluded_volume | 25438 ų |
| envelope_volume | 1678 ų |
| shell_volume | 2886 ų |
| envelope_diameter | 19.7 Å |
| shell_rg | 10.03 Å |
| envelope_rg | 6.24 Å |
| shape_rg | 5.14 Å |
| total_rg | 5.70 Å |
| total_atoms | 2783 |
| n_residues | 160 |
| 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 | 20.6 Å |
| rg_real | 4.57 Å |
| rg_real_error | 0.59 Å |
| i0_real | 4.4000e+06 |
| i0_real_error | 4.5500e+04 |
| rg_reciprocal | 4.56 Å |
| i0_reciprocal | 4400000.0000 |
| total_estimate | 0.6165 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 4 |
| r_peak_primary | 3.1 Å |
| skewness | 0.773 |
| kurtosis | -0.293 |
| angular_range | — – 0.5000 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 154.8000 |
| n_real_points | 80 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.016; Stabil: 0.988; Sysdev: 1.000; Positv: 1.000; Valcen: 0.000; Smooth: 0.999 |