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9yr9

Structure of human MARK3 in complex with inhibitor

Method: X-RAY DIFFRACTION D_max: 90.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9yr9
deposition_date	2025-10-16
last_revision	2026-04-08
title	Structure of human MARK3 in complex with inhibitor
keywords	Hippo Pathway, Protein Kinase, 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	29.58 Å
rg_electron	28.85 Å
i0	137237000.00
molecular_weight	62335.0 kDa
excluded_volume	60558 Å³
envelope_volume	109120 Å³
shell_volume	31695 Å³
envelope_diameter	94.8 Å
shell_rg	35.79 Å
envelope_rg	28.45 Å
shape_rg	28.82 Å
total_rg	29.42 Å
total_atoms	4724
n_residues	602
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	90.9 Å
rg_real	29.50 Å
rg_real_error	0.76 Å
i0_real	1.3720e+08
i0_real_error	2.0660e+06
rg_reciprocal	29.54 Å
i0_reciprocal	137200000.0000
total_estimate	0.9133
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.175
kurtosis	-0.640
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	17100000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.972; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.959

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	MAP/microtubule affinity-regulating kinase 3
formula_weight	37433.4 kDa
ec_number	2.7.11.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4966

GAMDPDEQPHIGNYRLLKTIGKGNFAKVKLARHILTGREVAIKIIDKTQLNPTSLQKLFREVRIMKILNHPNIVKLFEVIETEKTLYLIMEYASGGEVFDYLVAHGRMKEKEARSKFRQIVSAVQYCHQKRIVHRDLKAENLLLDADMNIKIADFGFSNEFTVGGKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKRFLVLNPIKRGTLEQIMKDRWINAGHEEDELKPFVEPELDISDQKRIDIMVGMGYSQEEIQESLSKMKYDEITATYLLLGRK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	3-({5-chloro-2-[2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}amino)thiophene-2-carboxamide
formula_weight	510.0 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	196

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6. Citations (1)

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length_a	107.430 Å
length_b	83.520 Å
length_c	91.160 Å
angle_alpha	90.00 °
angle_beta	121.62 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.402 Å
resolution_low	61.680 Å
r_factor	0.2093
r_work	0.2070
r_free	0.2528

fit	/app/data/saxs_computation/yr/9yr9/9yr9.fit
pddf	/app/data/pr_computation/yr/9yr9/9yr9.pr.out
profile	/app/data/saxs_computation/yr/9yr9/9yr9.dat

Structure of human MARK3 in complex with inhibitor

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