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10nv

Structure of kRas G12C Bound to Inhibitor 13ba

Method: X-RAY DIFFRACTION D_max: 74.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10nv
deposition_date	2026-01-29
title	Structure of kRas G12C Bound to Inhibitor 13ba
keywords	KRAS, SMALL GTPASE, ONCOPROTEIN, INHIBITOR Complex; ONCOPROTEIN
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	23.55 Å
rg_electron	23.00 Å
i0	47823300.00
molecular_weight	35582.0 kDa
excluded_volume	34194 Å³
envelope_volume	55496 Å³
shell_volume	20877 Å³
envelope_diameter	73.0 Å
shell_rg	28.97 Å
envelope_rg	22.96 Å
shape_rg	22.97 Å
total_rg	23.59 Å
total_atoms	2688
n_residues	333
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	74.5 Å
rg_real	23.60 Å
rg_real_error	0.39 Å
i0_real	4.7820e+07
i0_real_error	5.8120e+05
rg_reciprocal	23.59 Å
i0_reciprocal	47820000.0000
total_estimate	0.8909
solution_quality	GOOD a GOOD solution
n_peaks	0
r_peak_primary	— Å
skewness	0.353
kurtosis	-0.602
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	6462000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.937; Smooth: 0.957

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GTPase KRas
formula_weight	19352.8 kDa
mutation	G12C; C51S; C80L; C118S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2936

GMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTAGQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

Source

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

Entity 2 non-polymer

description	GUANOSINE-5'-DIPHOSPHATE
formula_weight	443.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	;4-((2S,5R)-4-Acryloyl-2,5-dimethylpiperazin-1-yl)-7-(1,6-dimethyl-1H-indazol-7-yl)-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazoline-6-carbonitrile ;
formula_weight	598.7 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	225

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6. Citations (1)

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length_a	33.430 Å
length_b	39.490 Å
length_c	60.690 Å
angle_alpha	78.68 °
angle_beta	82.51 °
angle_gamma	78.81 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.520 Å
resolution_low	34.987 Å
r_factor	0.1843
r_work	0.1834
r_free	0.2031

fit	/app/data/saxs_computation/0n/10nv/10nv.fit
pddf	/app/data/pr_computation/0n/10nv/10nv.pr.out
profile	/app/data/saxs_computation/0n/10nv/10nv.dat