← Back to search

1a1o

MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM

Method: X-RAY DIFFRACTION D_max: 75.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a1o
deposition_date	1997-12-11
title	MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM
keywords	MAJOR HISTOCOMPATIBILITY ANTIGEN, MHC, HLA, HLA-B53, MALARIA, COMPLEX (ANTIGEN-PEPTIDE), COMPLEX (ANTIGEN-PEPTIDE) complex; COMPLEX (ANTIGEN/PEPTIDE)
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.28 Å
rg_electron	23.12 Å
i0	36154000.00
molecular_weight	44809.0 kDa
excluded_volume	55366 Å³
envelope_volume	68492 Å³
shell_volume	24769 Å³
envelope_diameter	79.0 Å
shell_rg	30.02 Å
envelope_rg	23.23 Å
shape_rg	23.10 Å
total_rg	23.99 Å
total_atoms	3168
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

▼

3. P(r) Analysis (GNOM)

dmax	75.3 Å
rg_real	24.22 Å
rg_real_error	0.36 Å
i0_real	3.6150e+07
i0_real_error	4.6870e+05
rg_reciprocal	24.23 Å
i0_reciprocal	36150000.0000
total_estimate	0.9115
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.247
kurtosis	-0.481
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	8644000.0000
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: 0.997; Smooth: 0.982

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	HLA class I histocompatibility antigen, BW-53 B*5301 alpha chain
formula_weight	32006.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3281

GSHSMRYFYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRPPWIEQEGPEYWDRNTQIFKTNTQTYRENLRIALRYYNQSEAGSHIIQRMYGCDLGPDGRLLRGHDQSAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAARVAEQLRAYLEGLCVEWLRRYLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP

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	PEPTIDE LS6 (KPIVQYDNF)
formula_weight	1124.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

KPIVQYDNF

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	113

▶

6. Citations (1)

▶

length_a	51.300 Å
length_b	83.300 Å
length_c	112.400 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	2.300 Å
resolution_low	15.000 Å
r_factor	0.1680
r_work	0.1680
r_free	—

fit	/app/data/saxs_computation/a1/1a1o/1a1o.fit
pddf	/app/data/pr_computation/a1/1a1o/1a1o.pr.out
profile	/app/data/saxs_computation/a1/1a1o/1a1o.dat

MHC CLASS I MOLECULE B*5301 COMPLEXED WITH PEPTIDE LS6 (KPIVQYDNF) FROM THE MALARIA PARASITE P. FALCIPARUM

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)