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1a8g

HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910

Method: X-RAY DIFFRACTION D_max: 61.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a8g
deposition_date	1998-03-24
title	HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910
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	18.34 Å
rg_electron	17.28 Å
i0	8123120.00
molecular_weight	22470.0 kDa
excluded_volume	28877 Å³
envelope_volume	32310 Å³
shell_volume	15972 Å³
envelope_diameter	64.8 Å
shell_rg	23.19 Å
envelope_rg	17.67 Å
shape_rg	17.28 Å
total_rg	18.35 Å
total_atoms	1580
n_residues	198
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	61.7 Å
rg_real	18.32 Å
rg_real_error	0.44 Å
i0_real	8.1230e+06
i0_real_error	9.9730e+04
rg_reciprocal	18.32 Å
i0_reciprocal	8123000.0000
total_estimate	0.7881
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	20.8 Å
skewness	0.364
kurtosis	-0.223
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	3455000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.752; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HIV-1 PROTEASE
formula_weight	10830.8 kDa
ec_number	3.4.23.16
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	1649

PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

Entity 2 non-polymer

description	;benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate ;
formula_weight	826.0 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	69

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6. Citations (1)

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length_a	63.100 Å
length_b	63.100 Å
length_c	83.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.500 Å
resolution_low	8.000 Å
r_factor	0.1500
r_work	0.1500
r_free	0.2440

fit	/app/data/saxs_computation/a8/1a8g/1a8g.fit
pddf	/app/data/pr_computation/a8/1a8g/1a8g.pr.out
profile	/app/data/saxs_computation/a8/1a8g/1a8g.dat

HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910

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