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1ebk

Structural and kinetic analysis of drug resistant mutants of HIV-1 protease

Method: X-RAY DIFFRACTION D_max: 83.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ebk
deposition_date	2000-01-24
title	Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
keywords	HIV-1 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	24.10 Å
rg_electron	23.46 Å
i0	58901700.00
molecular_weight	41086.0 kDa
excluded_volume	40240 Å³
envelope_volume	66817 Å³
shell_volume	23835 Å³
envelope_diameter	84.7 Å
shell_rg	30.24 Å
envelope_rg	23.32 Å
shape_rg	23.45 Å
total_rg	24.06 Å
total_atoms	3134
n_residues	396
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	83.1 Å
rg_real	24.06 Å
rg_real_error	0.66 Å
i0_real	5.8900e+07
i0_real_error	8.9900e+05
rg_reciprocal	24.07 Å
i0_reciprocal	58900000.0000
total_estimate	0.8751
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.265
kurtosis	-0.424
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	24960000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.936; Smooth: 0.974

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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	10711.6 kDa
ec_number	3.4.23.16
mutation	Q7K, R8Q, L33I, L63I, C67A, C95A
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	C,D,E,F
atom_count	3278

PQITLWKQPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

Entity 2 non-polymer

description	;N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide ;
formula_weight	833.1 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	144

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6. Citations (1)

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length_a	59.410 Å
length_b	61.950 Å
length_c	51.840 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.060 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1920
r_free	0.3060

fit	/app/data/saxs_computation/eb/1ebk/1ebk.fit
pddf	/app/data/pr_computation/eb/1ebk/1ebk.pr.out
profile	/app/data/saxs_computation/eb/1ebk/1ebk.dat

Structural and kinetic analysis of drug resistant mutants of HIV-1 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