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9wvf

Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK)

Method: X-RAY DIFFRACTION D_max: 120.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wvf
deposition_date	2025-09-19
title	Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK)
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	39.04 Å
rg_electron	38.21 Å
i0	511692000.00
molecular_weight	176610.0 kDa
excluded_volume	217480 Å³
envelope_volume	298190 Å³
shell_volume	63978 Å³
envelope_diameter	129.0 Å
shell_rg	45.10 Å
envelope_rg	37.39 Å
shape_rg	38.21 Å
total_rg	38.62 Å
total_atoms	12472
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	120.9 Å
rg_real	38.80 Å
rg_real_error	0.73 Å
i0_real	5.1170e+08
i0_real_error	8.8050e+06
rg_reciprocal	38.95 Å
i0_reciprocal	511800000.0000
total_estimate	0.8980
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	51.4 Å
skewness	0.152
kurtosis	-0.457
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	50270000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.930; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.897

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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	12501

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	11879.4 kDa
src_method	man
entity_count	4

Polymer

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

MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 polymer

description	VAL-VAL-VAL-GLY-ALA-SER-GLY-VAL-GLY-LYS
formula_weight	873.0 kDa
src_method	man
entity_count	4

Polymer

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

VVVGASGVGK

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	29

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6. Citations (1)

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length_a	118.863 Å
length_b	121.529 Å
length_c	132.559 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	44.790 Å
r_factor	0.2658
r_work	0.2646
r_free	0.2915

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

Crystal structure of HLA-A*11:01 in complex with KRAS G12S 10-mer peptide (VVVGASGVGK)

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)