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1agb

ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION)

Method: X-RAY DIFFRACTION D_max: 82.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1agb
deposition_date	1997-03-24
title	ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION)
keywords	HLA B8, HIV, MHC CLASS I, HISTOCOMPATIBILITY COMPLEX; HISTOCOMPATIBILITY COMPLEX
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	24.23 Å
rg_electron	23.14 Å
i0	36662900.00
molecular_weight	44556.0 kDa
excluded_volume	54811 Å³
envelope_volume	68086 Å³
shell_volume	24682 Å³
envelope_diameter	79.9 Å
shell_rg	29.92 Å
envelope_rg	23.20 Å
shape_rg	23.12 Å
total_rg	23.98 Å
total_atoms	3148
n_residues	383
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	82.3 Å
rg_real	24.16 Å
rg_real_error	0.71 Å
i0_real	3.6660e+07
i0_real_error	4.9970e+05
rg_reciprocal	24.18 Å
i0_reciprocal	36660000.0000
total_estimate	0.8029
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	28.3 Å
skewness	0.247
kurtosis	-0.486
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	9854000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.825; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	B*0801
formula_weight	31928.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3454

GSHSMRYFDTAMSRPGRGEPRFISVGYVDDTQFVRFDSDAASPREEPRAPWIEQEGPEYWDRNTQIFKTNTQTDRESLRNLRGYYNQSEAGSHTLQSMYGCDVGPDGRLLRGHNQYAYDGKDYIALNEDLRSWTAADTAAQITQRKWEAARVAEQDRAYLEGTCVEWLRRYLENGKDTLERADPPKTHVTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BETA-2 MICROGLOBULIN
formula_weight	11748.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	HIV-1 GAG PEPTIDE (GGRKKYKL - 3R MUTATION)
formula_weight	953.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

GGRKKYKL

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	306

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6. Citations (1)

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length_a	51.000 Å
length_b	81.600 Å
length_c	111.600 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	2.200 Å
resolution_low	14.000 Å
r_factor	—
r_work	0.1950
r_free	—

fit	/app/data/saxs_computation/ag/1agb/1agb.fit
pddf	/app/data/pr_computation/ag/1agb/1agb.pr.out
profile	/app/data/saxs_computation/ag/1agb/1agb.dat

ANTAGONIST HIV-1 GAG PEPTIDES INDUCE STRUCTURAL CHANGES IN HLA B8-HIV-1 GAG PEPTIDE (GGRKKYKL-3R MUTATION)

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)