Endothiapepsin complex with inhibitor DB2

Method: X-RAY DIFFRACTION D_max: 65.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e5o
deposition_date	2000-07-28
title	Endothiapepsin complex with inhibitor DB2
keywords	HYDROLASE, ACID PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	20.68 Å
rg_electron	19.57 Å
i0	19908600.00
molecular_weight	34254.0 kDa
excluded_volume	42915 Å³
envelope_volume	49116 Å³
shell_volume	20994 Å³
envelope_diameter	66.5 Å
shell_rg	25.98 Å
envelope_rg	19.73 Å
shape_rg	19.51 Å
total_rg	20.62 Å
total_atoms	2421
n_residues	330
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	65.1 Å
rg_real	20.60 Å
rg_real_error	0.37 Å
i0_real	1.9910e+07
i0_real_error	2.4390e+05
rg_reciprocal	20.61 Å
i0_reciprocal	19910000.0000
total_estimate	0.8992
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.242
kurtosis	-0.393
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4227000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (1)

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length_a	53.600 Å
length_b	74.050 Å
length_c	45.700 Å
angle_alpha	90.00 °
angle_beta	110.00 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.050 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1810
r_free	0.2370

description	ENDOTHIAPEPSIN
formula_weight	33813.9 kDa
ec_number	3.4.23.23
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	E
atom_count	2610

Endothiapepsin complex with inhibitor DB2

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	N-[(2S)-2-amino-3-phenylpropyl]-D-methionyl-L-alanyl-L-isoleucine
formula_weight	466.6 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	189

fit	/app/data/saxs_computation/e5/1e5o/1e5o.fit
pddf	/app/data/pr_computation/e5/1e5o/1e5o.pr.out
profile	/app/data/saxs_computation/e5/1e5o/1e5o.dat