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1eat

;NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES ;

Method: X-RAY DIFFRACTION Dmax: 60.4 Å Quality: GOOD

SAXS Profile

SAXS profile for 1eat

P(r) Distribution

P(r) distribution for 1eat

1. Structure Basics

entry_id1eat
deposition_date1994-11-22
title;NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES ;
keywordsHYDROLASE (SERINE PROTEASE); HYDROLASE (SERINE PROTEASE)
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier17.86
rg_electron16.60
i013873000.00
molecular_weight26616.0 kDa
excluded_volume32707 ų
envelope_volume36637 ų
shell_volume17979 ų
envelope_diameter53.6
shell_rg23.25
envelope_rg16.89
shape_rg16.59
total_rg17.59
total_atoms1866
n_residues240
n_harmonics20
q_range— – 0.5000 −1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3

3. P(r) Analysis (GNOM)

dmax60.4
rg_real17.71
rg_real_error0.38
i0_real1.3870e+07
i0_real_error1.4500e+05
rg_reciprocal17.73
i0_reciprocal13870000.0000
total_estimate0.7848
solution_quality GOOD a GOOD solution
n_peaks3
r_peak_primary22.9
skewness0.101
kurtosis-0.462
angular_range— – 0.4450 −1
current_alpha0.0000
highest_alpha4316000.0000
n_real_points75
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.736; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (10)

7. Files & Curves (10)