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1eas

;NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES ;

Method: X-RAY DIFFRACTION Dmax: 55.0 Å Quality: GOOD

SAXS Profile

SAXS profile for 1eas

P(r) Distribution

P(r) distribution for 1eas

1. Structure Basics

entry_id1eas
deposition_date1994-11-22
title;NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 3. DESIGN, SYNTHESIS, X-RAY CRYSTALLOGRAPHIC ANALYSIS, AND STRUCTURE-ACTIVITY RELATIONSHIPS FOR A SERIES OF ORALLY ACTIVE 3-AMINO-6-PHENYLPYRIDIN-2-ONE TRIFLUOROMETHYL KETONES ;
keywordsHYDROLASE (SERINE PROTEASE); HYDROLASE (SERINE PROTEASE)
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier17.89
rg_electron16.60
i014033700.00
molecular_weight26711.0 kDa
excluded_volume32783 ų
envelope_volume36700 ų
shell_volume17998 ų
envelope_diameter53.8
shell_rg23.28
envelope_rg16.88
shape_rg16.59
total_rg17.61
total_atoms1871
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)

dmax55.0
rg_real17.74
rg_real_error0.27
i0_real1.4030e+07
i0_real_error1.6140e+05
rg_reciprocal17.76
i0_reciprocal14030000.0000
total_estimate0.8212
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary23.0
skewness0.091
kurtosis-0.477
angular_range— – 0.4450 −1
current_alpha0.0000
highest_alpha3948000.0000
n_real_points75
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.899; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.000

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (10)

7. Files & Curves (10)