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1b11

STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093

Method: X-RAY DIFFRACTION D_max: 48.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b11
deposition_date	1998-11-25
title	STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093
keywords	FIV PROTEASE, 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	15.42 Å
rg_electron	14.00 Å
i0	3722820.00
molecular_weight	13477.0 kDa
excluded_volume	16866 Å³
envelope_volume	19704 Å³
shell_volume	12041 Å³
envelope_diameter	47.9 Å
shell_rg	19.63 Å
envelope_rg	14.34 Å
shape_rg	13.95 Å
total_rg	15.35 Å
total_atoms	943
n_residues	113
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	48.2 Å
rg_real	15.35 Å
rg_real_error	0.20 Å
i0_real	3.7230e+06
i0_real_error	3.7500e+04
rg_reciprocal	15.36 Å
i0_reciprocal	3723000.0000
total_estimate	0.8911
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.9 Å
skewness	0.184
kurtosis	-0.372
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	654300.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.928

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (Feline Immunodeficiency Virus PROTEASE)
formula_weight	12842.8 kDa
ec_number	3.4.23.16
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1026

VGTTTTLEKRPEILIFVNGYPIKFLLDTGADITILNRRDFQVKNSIENGRQNMIGVGGGKRGTNYINVHLEIRDENYKTQCIFGNVCVLEDNSLIQPLLGRDNMIKFNIRLVM

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	;benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate ;
formula_weight	909.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	60

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6. Citations (2)

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length_a	50.745 Å
length_b	50.745 Å
length_c	73.458 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	0.1760
r_work	—
r_free	0.2514

fit	/app/data/saxs_computation/b1/1b11/1b11.fit
pddf	/app/data/pr_computation/b1/1b11/1b11.pr.out
profile	/app/data/saxs_computation/b1/1b11/1b11.dat

STRUCTURE OF FELINE IMMUNODEFICIENCY VIRUS PROTEASE COMPLEXED WITH TL-3-093

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