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11oy

Crystal structure of Human p38 alpha MAPK in Complex with MW01-18-122SRM

Method: X-RAY DIFFRACTION D_max: 73.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11oy
deposition_date	2026-03-06
last_revision	2026-04-08
title	Crystal structure of Human p38 alpha MAPK in Complex with MW01-18-122SRM
keywords	SERINE/THREONINE-PROTEIN KINASE, PROTEIN KINASE DOMAIN, TRANSFERASE, ATP BINDING, PHOSPHORYLATION, CYTOSOL; 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	22.54 Å
rg_electron	21.75 Å
i0	48236600.00
molecular_weight	36472.0 kDa
excluded_volume	35523 Å³
envelope_volume	59048 Å³
shell_volume	22829 Å³
envelope_diameter	72.6 Å
shell_rg	28.41 Å
envelope_rg	21.95 Å
shape_rg	21.72 Å
total_rg	22.43 Å
total_atoms	2768
n_residues	337
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	73.3 Å
rg_real	22.51 Å
rg_real_error	0.43 Å
i0_real	4.8240e+07
i0_real_error	5.8250e+05
rg_reciprocal	22.52 Å
i0_reciprocal	48240000.0000
total_estimate	0.8959
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.5 Å
skewness	0.331
kurtosis	-0.363
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	9679000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Mitogen-activated protein kinase 14
formula_weight	41343.2 kDa
ec_number	2.7.11.24
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2915

MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
formula_weight	239.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	(3P)-6-(4-methylpiperazin-1-yl)-3-(naphthalen-1-yl)-4-(pyridin-4-yl)pyridazine
formula_weight	381.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	142

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6. Citations (1)

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length_a	66.760 Å
length_b	74.507 Å
length_c	78.975 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.022 Å
resolution_low	54.200 Å
r_factor	0.2120
r_work	0.2109
r_free	0.2338

fit	/app/data/saxs_computation/1o/11oy/11oy.fit
pddf	/app/data/pr_computation/1o/11oy/11oy.pr.out
profile	/app/data/saxs_computation/1o/11oy/11oy.dat