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1e27

Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM1(LPPVVAKEI)

Method: X-RAY DIFFRACTION D_max: 74.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e27
deposition_date	2000-05-18
title	Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM1(LPPVVAKEI)
keywords	IMMUNE SYSTEM, HLA B51, HIV, MHC CLASS I, HISTOCOMPATIBILITY COMPLEX; IMMUNE SYSTEM
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	24.14 Å
rg_electron	23.02 Å
i0	36061600.00
molecular_weight	44695.0 kDa
excluded_volume	55195 Å³
envelope_volume	67481 Å³
shell_volume	24591 Å³
envelope_diameter	78.2 Å
shell_rg	29.81 Å
envelope_rg	23.09 Å
shape_rg	23.00 Å
total_rg	23.88 Å
total_atoms	3160
n_residues	384
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	74.9 Å
rg_real	24.07 Å
rg_real_error	0.46 Å
i0_real	3.6060e+07
i0_real_error	4.9710e+05
rg_reciprocal	24.09 Å
i0_reciprocal	36060000.0000
total_estimate	0.9125
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	73.7 Å
skewness	0.241
kurtosis	-0.481
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	8471000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.994

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	HLA CLASS I HISTOCOMPATIBILITY ANTIGEN HEAVY CHAIN
formula_weight	32051.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3554

GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRAPWIEQEGPEYWDRNTQIFKTNTQTYRENLRIALRYYNQSEAGSHTWQTMYGCDVGPDGRLLRGHNQYAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAAREAEQLRAYLEGLCVEWLRRHLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP

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	HIV-1 PEPTIDE (LPPVVAKEI)
formula_weight	966.2 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

LPPVVAKEI

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	394

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6. Citations (1)

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length_a	50.800 Å
length_b	82.300 Å
length_c	111.000 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	25.000 Å
r_factor	0.1990
r_work	0.1990
r_free	0.2550

fit	/app/data/saxs_computation/e2/1e27/1e27.fit
pddf	/app/data/pr_computation/e2/1e27/1e27.pr.out
profile	/app/data/saxs_computation/e2/1e27/1e27.dat

Nonstandard peptide binding of HLA-B*5101 complexed with HIV immunodominant epitope KM1(LPPVVAKEI)

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

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)