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1bd2

COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201

Method: X-RAY DIFFRACTION D_max: 131.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bd2
deposition_date	1998-05-12
title	COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201
keywords	COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR), COMPLEX (MHC-VIRAL PEPTIDE-RECEPTOR) complex; COMPLEX (MHC/VIRAL PEPTIDE/RECEPTOR)
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	36.69 Å
rg_electron	36.84 Å
i0	131181000.00
molecular_weight	89660.0 kDa
excluded_volume	110860 Å³
envelope_volume	148210 Å³
shell_volume	36778 Å³
envelope_diameter	141.0 Å
shell_rg	38.70 Å
envelope_rg	37.28 Å
shape_rg	36.83 Å
total_rg	36.99 Å
total_atoms	6339
n_residues	815
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	131.8 Å
rg_real	37.25 Å
rg_real_error	1.49 Å
i0_real	1.3120e+08
i0_real_error	2.4120e+06
rg_reciprocal	36.90 Å
i0_reciprocal	131100000.0000
total_estimate	0.7668
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.7 Å
skewness	0.668
kurtosis	-0.118
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	15370000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.586; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.466; Smooth: 0.740

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	HLA-A 0201
formula_weight	31854.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6378

GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BETA-2 MICROGLOBULIN
formula_weight	11879.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 3 polymer

description	TAX PEPTIDE
formula_weight	1070.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

LLFGYPVYV

Source

organism	Human T-lymphotropic virus 1
ncbi_taxonomy_id	11908

Entity 4 polymer

description	T CELL RECEPTOR ALPHA
formula_weight	22730.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	D

QQVKQNSPSLSVQEGRISILNCDYTNSMFDYFLWYKKYPAEGPTFLISISSIKDKNADGRFTVFLNKSAKHLSLHIVPSQPGDSAVYFCAAMEGAQKLVFGQGTRLTINPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 5 polymer

description	T CELL RECEPTOR BETA
formula_weight	27326.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E

NAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASSYPGGGFYEQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	39

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6. Citations (2)

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length_a	63.800 Å
length_b	73.300 Å
length_c	217.700 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	2.500 Å
resolution_low	8.000 Å
r_factor	0.2380
r_work	0.2380
r_free	0.3120

fit	/app/data/saxs_computation/bd/1bd2/1bd2.fit
pddf	/app/data/pr_computation/bd/1bd2/1bd2.pr.out
profile	/app/data/saxs_computation/bd/1bd2/1bd2.dat

COMPLEX BETWEEN HUMAN T-CELL RECEPTOR B7, VIRAL PEPTIDE (TAX) AND MHC CLASS I MOLECULE HLA-A 0201

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 polymer

Polymer

Source

Entity 6 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)