TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR

Method: X-RAY DIFFRACTION D_max: 53.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cqq
deposition_date	1999-08-10
title	TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR
keywords	VIRAL PROTEIN, HYDROLASE; 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	16.48 Å
rg_electron	15.03 Å
i0	7638510.00
molecular_weight	20338.0 kDa
excluded_volume	25510 Å³
envelope_volume	27817 Å³
shell_volume	15220 Å³
envelope_diameter	51.9 Å
shell_rg	21.44 Å
envelope_rg	15.36 Å
shape_rg	15.02 Å
total_rg	16.20 Å
total_atoms	1783
n_residues	180
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	53.6 Å
rg_real	16.33 Å
rg_real_error	0.29 Å
i0_real	7.6390e+06
i0_real_error	9.1630e+04
rg_reciprocal	16.35 Å
i0_reciprocal	7639000.0000
total_estimate	0.8727
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.7 Å
skewness	0.054
kurtosis	-0.428
angular_range	— – 0.4850 Å⁻¹
current_alpha	0.0000
highest_alpha	2488000.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.788; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.992

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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	34.300 Å
length_b	65.700 Å
length_c	77.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.850 Å
resolution_low	10.000 Å
r_factor	—
r_work	—
r_free	—

description	TYPE 2 RHINOVIRUS 3C PROTEASE
formula_weight	19981.7 kDa
src_method	nat
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2446

TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR

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

Entity 2 non-polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	;4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER ;
formula_weight	600.7 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	221

fit	/app/data/saxs_computation/cq/1cqq/1cqq.fit
pddf	/app/data/pr_computation/cq/1cqq/1cqq.pr.out
profile	/app/data/saxs_computation/cq/1cqq/1cqq.dat