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9s3x

EGFR (T790M,L858R) in complex with NCL-26007

Method: X-RAY DIFFRACTION D_max: 66.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s3x
deposition_date	2025-07-25
title	EGFR (T790M,L858R) in complex with NCL-26007
keywords	EGFR, covalent, TRANSFERASE; TRANSFERASE
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	21.15 Å
rg_electron	20.25 Å
i0	43594500.00
molecular_weight	34584.0 kDa
excluded_volume	33618 Å³
envelope_volume	55725 Å³
shell_volume	22620 Å³
envelope_diameter	68.1 Å
shell_rg	27.07 Å
envelope_rg	20.50 Å
shape_rg	20.22 Å
total_rg	20.96 Å
total_atoms	2618
n_residues	324
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	66.6 Å
rg_real	21.04 Å
rg_real_error	0.41 Å
i0_real	4.3590e+07
i0_real_error	5.6700e+05
rg_reciprocal	21.06 Å
i0_reciprocal	43590000.0000
total_estimate	0.9034
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	64.6 Å
skewness	0.195
kurtosis	-0.494
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	12270000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.915; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Epidermal growth factor receptor
formula_weight	36874.7 kDa
ec_number	2.7.10.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2843

GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAAAAEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	unidentified baculovirus

Entity 2 non-polymer

description	2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethenyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
formula_weight	440.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	211

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6. Citations (1)

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length_a	143.180 Å
length_b	143.180 Å
length_c	143.180 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	2.423 Å
resolution_low	50.620 Å
r_factor	—
r_work	0.1892
r_free	0.2461

fit	/app/data/saxs_computation/s3/9s3x/9s3x.fit
pddf	/app/data/pr_computation/s3/9s3x/9s3x.pr.out
profile	/app/data/saxs_computation/s3/9s3x/9s3x.dat

EGFR (T790M,L858R) in complex with NCL-26007

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