;Crystal structure of EGFR T790M/C797S/L858R mutant in complex with (2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide ;

Method: X-RAY DIFFRACTION D_max: 67.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9xu9
deposition_date	2025-11-24
last_revision	2025-12-24
title	;Crystal structure of EGFR T790M/C797S/L858R mutant in complex with (2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide ;
keywords	EGFR, Kinase, cell signaling transport, Lung cancer, inhibitor., SIGNALING PROTEIN; SIGNALING PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.81 Å
rg_electron	19.93 Å
i0	39224400.00
molecular_weight	32725.0 kDa
excluded_volume	31875 Å³
envelope_volume	52238 Å³
shell_volume	21664 Å³
envelope_diameter	67.8 Å
shell_rg	26.71 Å
envelope_rg	20.24 Å
shape_rg	19.86 Å
total_rg	20.72 Å
total_atoms	2501
n_residues	310
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

▼

3. P(r) Analysis (GNOM)

dmax	67.4 Å
rg_real	20.72 Å
rg_real_error	0.30 Å
i0_real	3.9220e+07
i0_real_error	5.0030e+05
rg_reciprocal	20.74 Å
i0_reciprocal	39220000.0000
total_estimate	0.8959
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.4 Å
skewness	0.221
kurtosis	-0.468
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	12380000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.998

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (2)

▶

6. Citations (1)

▶

length_a	145.440 Å
length_b	145.440 Å
length_c	145.440 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	24

space_group	I 2 3
int_tables_number	197
crystal_system	—

resolution	2.840 Å
resolution_low	34.280 Å
r_factor	0.2348
r_work	0.2281
r_free	0.2939

description	Epidermal growth factor receptor
formula_weight	37690.5 kDa
ec_number	2.7.10.1
mutation	T790M,C797S,L858R
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	2501

;Crystal structure of EGFR T790M/C797S/L858R mutant in complex with (2-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrophenyl)amino)pyrimidin-4-yl)amino)phenyl)dimethylphosphine oxide ;

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

description	5-chloranyl-~{N}4-(2-dimethylphosphorylphenyl)-~{N}2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitro-phenyl]pyrimidine-2,4-diamine
formula_weight	546.0 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/xu/9xu9/9xu9.fit
pddf	/app/data/pr_computation/xu/9xu9/9xu9.pr.out
profile	/app/data/saxs_computation/xu/9xu9/9xu9.dat