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1e28

Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM2(TAFTIPSI)

Method: X-RAY DIFFRACTION D_max: 75.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e28
deposition_date	2000-05-18
title	Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM2(TAFTIPSI)
keywords	HLA B51, HIV, MHC CLASS I, HISTOCOMPATIBILITY COMPLEX; HLA B51
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	24.32 Å
rg_electron	23.21 Å
i0	36022800.00
molecular_weight	44605.0 kDa
excluded_volume	55053 Å³
envelope_volume	68421 Å³
shell_volume	24790 Å³
envelope_diameter	79.3 Å
shell_rg	29.94 Å
envelope_rg	23.19 Å
shape_rg	23.18 Å
total_rg	24.06 Å
total_atoms	3154
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	75.4 Å
rg_real	24.24 Å
rg_real_error	0.42 Å
i0_real	3.6020e+07
i0_real_error	4.8900e+05
rg_reciprocal	24.26 Å
i0_reciprocal	36020000.0000
total_estimate	0.9126
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.232
kurtosis	-0.489
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	8310000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY CHAIN
formula_weight	32077.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3154

GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRPPWIEQEGPEYWDRNTQIFKTNTQTYRENLRIALRYYNQSEAGSHTWQTMYGCDVGPDGRLLRGHNQYAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAAREAEQLRAYLEGLCVEWLRRHLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	BETA-2 MICROGLOBULIN LIGHT CHAIN
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	PEPTIDE
formula_weight	849.0 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

TAFTIPSI

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6. Citations (1)

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length_a	50.900 Å
length_b	83.000 Å
length_c	111.800 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	3.000 Å
resolution_low	25.000 Å
r_factor	0.1940
r_work	0.1940
r_free	0.2530

fit	/app/data/saxs_computation/e2/1e28/1e28.fit
pddf	/app/data/pr_computation/e2/1e28/1e28.pr.out
profile	/app/data/saxs_computation/e2/1e28/1e28.dat

Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM2(TAFTIPSI)

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)