Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114)

Method: X-RAY DIFFRACTION D_max: 146.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9u8c
deposition_date	2025-03-26
title	Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114)
keywords	Kinase ORIC-114, SIGNALING PROTEIN; SIGNALING PROTEIN
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	47.63 Å
rg_electron	47.48 Å
i0	682383000.00
molecular_weight	146300.0 kDa
excluded_volume	142750 Å³
envelope_volume	294190 Å³
shell_volume	51037 Å³
envelope_diameter	151.1 Å
shell_rg	53.33 Å
envelope_rg	45.66 Å
shape_rg	47.48 Å
total_rg	47.65 Å
total_atoms	11086
n_residues	1448
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	146.0 Å
rg_real	47.61 Å
rg_real_error	1.16 Å
i0_real	6.8240e+08
i0_real_error	1.2750e+07
rg_reciprocal	47.64 Å
i0_reciprocal	682400000.0000
total_estimate	0.8427
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	75.2 Å
skewness	0.079
kurtosis	-0.872
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	20070000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.886; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.947; Smooth: 0.346

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	88.228 Å
length_b	102.161 Å
length_c	414.396 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	20

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

resolution	3.500 Å
resolution_low	49.600 Å
r_factor	0.2747
r_work	0.2734
r_free	0.3003

description	Epidermal growth factor receptor
formula_weight	38451.4 kDa
ec_number	2.7.10.1
mutation	D770_N771insNPG
src_method	man
entity_count	5

type	polypeptide(L)
strand_id	A,B,C,D,E
atom_count	11086

Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114)

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	;~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide ;
formula_weight	662.8 kDa
src_method	syn
entity_count	4

fit	/app/data/saxs_computation/u8/9u8c/9u8c.fit
pddf	/app/data/pr_computation/u8/9u8c/9u8c.pr.out
profile	/app/data/saxs_computation/u8/9u8c/9u8c.dat