SAXSdb — 1ao7

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1. Structure Basics

entry_id	1ao7
deposition_date	1997-07-21
title	COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND HLA-A 0201
keywords	CLASS I MHC, T-CELL RECEPTOR, VIRAL PEPTIDE, 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	34.71 Å
rg_electron	34.98 Å
i0	109429000.00
molecular_weight	80774.0 kDa
excluded_volume	99606 Å³
envelope_volume	133770 Å³
shell_volume	34936 Å³
envelope_diameter	138.2 Å
shell_rg	37.31 Å
envelope_rg	35.90 Å
shape_rg	34.96 Å
total_rg	35.22 Å
total_atoms	5674
n_residues	707
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	130.7 Å
rg_real	35.19 Å
rg_real_error	1.69 Å
i0_real	1.0940e+08
i0_real_error	1.9250e+06
rg_reciprocal	34.89 Å
i0_reciprocal	109400000.0000
total_estimate	0.7712
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.1 Å
skewness	0.732
kurtosis	0.139
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	12090000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.498; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.637; Smooth: 0.891

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

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	5711

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	11793.3 kDa
mutation	Y67C, K91C
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYCTEFTPTEKDEYACRVNHVTLSQPCIVKWDRDM

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	22488.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	D

KEVEQNSGPLSVPEGAIASLNCTYSDRGSQSFFWYRQYSGKSPELIMSIYSNGDKEDGRFTAQLNKASQYVSLLIRDSQPSDSATYLCAVTTDSWGKLQFGAGTQVVVTPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKTVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS

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	27360.4 kDa
mutation	C191A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E

NAGVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASRPGLAGGRPEQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD

Source

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

Entity 6 non-polymer

description	ETHYL MERCURY ION
formula_weight	229.7 kDa
src_method	syn
entity_count	2

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	37

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6. Citations (2)

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length_a	229.300 Å
length_b	49.500 Å
length_c	96.000 Å
angle_alpha	90.00 °
angle_beta	89.60 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.600 Å
resolution_low	6.000 Å
r_factor	0.2450
r_work	0.2450
r_free	0.3200

fit	/app/data/saxs_computation/ao/1ao7/1ao7.fit
pddf	/app/data/pr_computation/ao/1ao7/1ao7.pr.out
profile	/app/data/saxs_computation/ao/1ao7/1ao7.dat

COMPLEX BETWEEN HUMAN T-CELL RECEPTOR, VIRAL PEPTIDE (TAX), AND 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 (7)

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 non-polymer

Entity 7 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)