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1at3

HERPES SIMPLEX VIRUS TYPE II PROTEASE

Method: X-RAY DIFFRACTION D_max: 83.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1at3
deposition_date	1997-08-16
title	HERPES SIMPLEX VIRUS TYPE II PROTEASE
keywords	SERINE PROTEASE, VIRAL PROTEASE, HSV2 PROTEASE; SERINE PROTEASE
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	25.50 Å
rg_electron	24.68 Å
i0	37614800.00
molecular_weight	47049.0 kDa
excluded_volume	58868 Å³
envelope_volume	70534 Å³
shell_volume	24843 Å³
envelope_diameter	85.1 Å
shell_rg	31.16 Å
envelope_rg	24.79 Å
shape_rg	24.72 Å
total_rg	25.29 Å
total_atoms	3313
n_residues	434
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	83.5 Å
rg_real	25.62 Å
rg_real_error	0.62 Å
i0_real	3.7610e+07
i0_real_error	5.5880e+05
rg_reciprocal	25.59 Å
i0_reciprocal	37610000.0000
total_estimate	0.8673
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.499
kurtosis	-0.313
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	17920000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.794; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.929

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HERPES SIMPLEX VIRUS TYPE II PROTEASE
formula_weight	27056.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3356

MASAEMRERLEAPLPDRAVPIYVAGFLALYDSGDPGELALDPDTVRAALPPENPLPINVDHRARCEVGRVLAVVNDPRGPFFVGLIACVQLERVLETAASAAIFERRGPALSREERLLYLITNYLPSVSLSTKRRGDEVPPDRTLFAHVALCAIGRRLGTIVTYDTSLDAAIAPFRHLDPATREGVRREAAEAELALAGRTWAPGVEALTHTLLSTAVNNMMLRDRWSLVAERRRQAGIAGHTYLQA

Source

organism	Human herpesvirus 2
common_name	Herpes simplex virus type 2
ncbi_taxonomy_id	10310
host_organism	Escherichia coli

Entity 2 non-polymer

description	DIISOPROPYL PHOSPHONATE
formula_weight	166.2 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	43

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6. Citations (1)

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length_a	71.720 Å
length_b	87.430 Å
length_c	77.280 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.500 Å
resolution_low	10.000 Å
r_factor	0.2050
r_work	0.2050
r_free	0.2910

fit	/app/data/saxs_computation/at/1at3/1at3.fit
pddf	/app/data/pr_computation/at/1at3/1at3.pr.out
profile	/app/data/saxs_computation/at/1at3/1at3.dat

HERPES SIMPLEX VIRUS TYPE II PROTEASE

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