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1akj

COMPLEX OF THE HUMAN MHC CLASS I GLYCOPROTEIN HLA-A2 AND THE T CELL CORECEPTOR CD8

Method: X-RAY DIFFRACTION D_max: 82.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1akj
deposition_date	1997-05-21
title	COMPLEX OF THE HUMAN MHC CLASS I GLYCOPROTEIN HLA-A2 AND THE T CELL CORECEPTOR CD8
keywords	T-CELL, GLYCOPROTEIN, COMPLEX, IMMUNOLOGY, COMPLEX (MHC I-PEPTIDE-CD8), COMPLEX (MHC I-PEPTIDE-CD8) complex; COMPLEX (MHC I/PEPTIDE/CD8)
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	26.87 Å
rg_electron	25.66 Å
i0	83435100.00
molecular_weight	70151.0 kDa
excluded_volume	87166 Å³
envelope_volume	108770 Å³
shell_volume	34352 Å³
envelope_diameter	84.6 Å
shell_rg	33.70 Å
envelope_rg	25.54 Å
shape_rg	25.65 Å
total_rg	26.54 Å
total_atoms	4957
n_residues	611
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	82.0 Å
rg_real	26.69 Å
rg_real_error	0.51 Å
i0_real	8.3440e+07
i0_real_error	1.0740e+06
rg_reciprocal	26.75 Å
i0_reciprocal	83440000.0000
total_estimate	0.9071
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.8 Å
skewness	0.101
kurtosis	-0.531
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	16420000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MHC CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) (ALPHA CHAIN)
formula_weight	31951.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5065

GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEP

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 REVERSE TRANSCRIPTASE EPITOPE
formula_weight	993.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

ILKEPVHGV

Source

organism	Human immunodeficiency virus
ncbi_taxonomy_id	12721

Entity 4 polymer

description	T-CELL CORECEPTOR CD8
formula_weight	13476.3 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	D,E

SQFRVSPLDRTWNLGETVELKCQVLLSNPTSGCSWLFQPRGAAASPTFLLYLSQNKPKAAEGLDTQRFSGKRLGDTFVLTLSDFRRENEGYYFCSALSNSIMYFSHFVPVFLPAKPTTTP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	108

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6. Citations (1)

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length_a	70.900 Å
length_b	89.600 Å
length_c	116.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.650 Å
resolution_low	15.000 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2760

fit	/app/data/saxs_computation/ak/1akj/1akj.fit
pddf	/app/data/pr_computation/ak/1akj/1akj.pr.out
profile	/app/data/saxs_computation/ak/1akj/1akj.dat

COMPLEX OF THE HUMAN MHC CLASS I GLYCOPROTEIN HLA-A2 AND THE T CELL CORECEPTOR CD8

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)