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9uv8

Crystal structure of HLA-A*11:01 in complex with KRAS G12D 9-mer peptide (VVGADGVGK)

Method: X-RAY DIFFRACTION D_max: 75.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uv8
deposition_date	2025-05-09
title	Crystal structure of HLA-A*11:01 in complex with KRAS G12D 9-mer peptide (VVGADGVGK)
keywords	Complex, IMMUNE SYSTEM; 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	24.24 Å
rg_electron	23.06 Å
i0	36072400.00
molecular_weight	44298.0 kDa
excluded_volume	54503 Å³
envelope_volume	66795 Å³
shell_volume	24333 Å³
envelope_diameter	78.9 Å
shell_rg	29.80 Å
envelope_rg	23.13 Å
shape_rg	23.04 Å
total_rg	23.90 Å
total_atoms	3128
n_residues	383
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	75.8 Å
rg_real	24.18 Å
rg_real_error	0.44 Å
i0_real	3.6070e+07
i0_real_error	4.5440e+05
rg_reciprocal	24.20 Å
i0_reciprocal	36070000.0000
total_estimate	0.9114
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.6 Å
skewness	0.246
kurtosis	-0.479
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	8149000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.950; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.996

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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, A alpha chain
formula_weight	31986.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3454

MGSHSMRYFYTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEDGSHTIQIMYGCDVGPDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHAAEQQRAYLEGRCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Beta-2-microglobulin
formula_weight	14165.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMGSGGSGAGLNDIFEAQKIEWHE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	KRAS G12D-9mer (VVGADGVGK)
formula_weight	801.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

VVGADGVGK

Source

organism	Homo sapiens
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	326

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6. Citations (1)

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length_a	56.249 Å
length_b	80.002 Å
length_c	57.692 Å
angle_alpha	90.00 °
angle_beta	116.40 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.790 Å
resolution_low	51.670 Å
r_factor	0.1935
r_work	0.1917
r_free	0.2309

fit	/app/data/saxs_computation/uv/9uv8/9uv8.fit
pddf	/app/data/pr_computation/uv/9uv8/9uv8.pr.out
profile	/app/data/saxs_computation/uv/9uv8/9uv8.dat

Crystal structure of HLA-A*11:01 in complex with KRAS G12D 9-mer peptide (VVGADGVGK)

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)