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9wve

Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK)

Method: X-RAY DIFFRACTION D_max: 121.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wve
deposition_date	2025-09-19
title	Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK)
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	39.01 Å
rg_electron	38.20 Å
i0	506048000.00
molecular_weight	175360.0 kDa
excluded_volume	215810 Å³
envelope_volume	297080 Å³
shell_volume	63878 Å³
envelope_diameter	127.1 Å
shell_rg	45.07 Å
envelope_rg	37.29 Å
shape_rg	38.20 Å
total_rg	38.60 Å
total_atoms	12384
n_residues	1536
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	121.0 Å
rg_real	38.78 Å
rg_real_error	0.92 Å
i0_real	5.0600e+08
i0_real_error	8.8760e+06
rg_reciprocal	38.93 Å
i0_reciprocal	506100000.0000
total_estimate	0.8956
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	50.2 Å
skewness	0.151
kurtosis	-0.459
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	51350000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.875

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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	4

Polymer

type	polypeptide(L)
strand_id	A,D,G,J
atom_count	12456

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	4

Polymer

type	polypeptide(L)
strand_id	B,E,H,K

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMGSGGSGAGLNDIFEAQKIEWHE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	VAL-VAL-VAL-GLY-ALA-ALA-GLY-VAL-GLY-LYS
formula_weight	857.0 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	C,F,I,L

VVVGAAGVGK

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	72

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6. Citations (1)

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length_a	118.875 Å
length_b	121.573 Å
length_c	132.587 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.800 Å
resolution_low	44.800 Å
r_factor	0.2476
r_work	0.2468
r_free	0.2671

fit	/app/data/saxs_computation/wv/9wve/9wve.fit
pddf	/app/data/pr_computation/wv/9wve/9wve.pr.out
profile	/app/data/saxs_computation/wv/9wve/9wve.dat

Crystal structure of HLA-A*11:01 in complex with KRAS G12A 10-mer peptide (VVVGAAGVGK)

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)