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1epm

A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA

Method: X-RAY DIFFRACTION D_max: 65.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1epm
deposition_date	1994-07-27
title	A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA
keywords	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	20.72 Å
rg_electron	19.54 Å
i0	21435100.00
molecular_weight	35114.0 kDa
excluded_volume	43781 Å³
envelope_volume	49706 Å³
shell_volume	21201 Å³
envelope_diameter	68.0 Å
shell_rg	26.15 Å
envelope_rg	19.78 Å
shape_rg	19.47 Å
total_rg	20.64 Å
total_atoms	2478
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	65.9 Å
rg_real	20.64 Å
rg_real_error	0.35 Å
i0_real	2.1440e+07
i0_real_error	2.5820e+05
rg_reciprocal	20.65 Å
i0_reciprocal	21440000.0000
total_estimate	0.8959
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.8 Å
skewness	0.244
kurtosis	-0.378
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4827000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

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	2759

STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK

Source

organism	Cryphonectria parasitica
ncbi_taxonomy_id	5116

Entity 2 polymer

description	PS2, THR-PHE-GLN-ALA-PSA-LEU-ARG-GLU
formula_weight	1056.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

TFQAFLRE

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	281

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6. Citations (2)

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length_a	43.110 Å
length_b	75.880 Å
length_c	42.980 Å
angle_alpha	90.00 °
angle_beta	96.76 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.600 Å
resolution_low	20.000 Å
r_factor	0.1700
r_work	—
r_free	—

fit	/app/data/saxs_computation/ep/1epm/1epm.fit
pddf	/app/data/pr_computation/ep/1epm/1epm.pr.out
profile	/app/data/saxs_computation/ep/1epm/1epm.dat

A STRUCTURAL COMPARISON OF 21 INHIBITOR COMPLEXES OF THE ASPARTIC PROTEINASE FROM ENDOTHIA PARASITICA

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)