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1er8

THE ACTIVE SITE OF ASPARTIC PROTEINASES

Method: X-RAY DIFFRACTION D_max: 65.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1er8
deposition_date	1989-10-16
title	THE ACTIVE SITE OF ASPARTIC PROTEINASES
keywords	HYDROLASE, ACID PROTEINASE; HYDROLASE
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	20.57 Å
rg_electron	19.45 Å
i0	20375500.00
molecular_weight	34797.0 kDa
excluded_volume	43620 Å³
envelope_volume	48993 Å³
shell_volume	21032 Å³
envelope_diameter	65.9 Å
shell_rg	25.99 Å
envelope_rg	19.66 Å
shape_rg	19.38 Å
total_rg	20.52 Å
total_atoms	2462
n_residues	337
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	65.4 Å
rg_real	20.49 Å
rg_real_error	0.31 Å
i0_real	2.0380e+07
i0_real_error	2.3230e+05
rg_reciprocal	20.51 Å
i0_reciprocal	20380000.0000
total_estimate	0.8969
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.251
kurtosis	-0.378
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4839000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Endothiapepsin
formula_weight	33813.9 kDa
ec_number	3.4.23.22
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2529

STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK

Source

organism	Cryphonectria parasitica
common_name	Chesnut blight fungus
ncbi_taxonomy_id	5116

Entity 2 polymer

description	H-77
formula_weight	1027.2 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

HPFHLLVY

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	67

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6. Citations (7)

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length_a	43.200 Å
length_b	75.700 Å
length_c	42.900 Å
angle_alpha	90.00 °
angle_beta	97.10 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1700
r_free	—

fit	/app/data/saxs_computation/er/1er8/1er8.fit
pddf	/app/data/pr_computation/er/1er8/1er8.pr.out
profile	/app/data/saxs_computation/er/1er8/1er8.dat

THE ACTIVE SITE OF ASPARTIC PROTEINASES

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (7)

7. Files & Curves (10)

Files (7)

Curves (3)