← Back to search

9req

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F310

Method: X-RAY DIFFRACTION D_max: 66.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9req
deposition_date	2025-06-03
title	Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F310
keywords	serine-threonine kinase, small molecules, ligand binding, fragment-based drug discovery, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	21.39 Å
rg_electron	20.29 Å
i0	48965400.00
molecular_weight	37026.0 kDa
excluded_volume	36169 Å³
envelope_volume	59233 Å³
shell_volume	23819 Å³
envelope_diameter	69.4 Å
shell_rg	27.32 Å
envelope_rg	20.48 Å
shape_rg	20.24 Å
total_rg	21.06 Å
total_atoms	2808
n_residues	336
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	66.8 Å
rg_real	21.26 Å
rg_real_error	0.27 Å
i0_real	4.8970e+07
i0_real_error	5.5180e+05
rg_reciprocal	21.28 Å
i0_reciprocal	48970000.0000
total_estimate	0.7077
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.180
kurtosis	-0.425
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	10050000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.907; Stabil: 1.000; Sysdev: 0.161; Positv: 1.000; Valcen: 0.994; Smooth: 0.998

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	cAMP-dependent protein kinase catalytic subunit alpha
formula_weight	41113.8 kDa
ec_number	2.7.11.11
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3114

GHMGNAAAAKKGSEQESVKEFLAKAKEEFLKKWESPSQNTAQLDHFDRIKTLGTGSFGRVMLVKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF

Source

organism	Cricetulus griseus
common_name	Chinese hamster
ncbi_taxonomy_id	10029
host_organism	;Escherichia coli 'BL21-Gold(DE3)pLysS AG' ;

Entity 2 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1-[[(2~{R},3~{S},6~{S})-6-(2-hydroxyethyl)-3-oxidanyl-oxan-2-yl]methyl]-3-phenyl-urea
formula_weight	294.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	5

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	195

▶

6. Citations (1)

▶

length_a	52.221 Å
length_b	72.371 Å
length_c	98.733 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	orthorhombic

resolution	1.500 Å
resolution_low	24.680 Å
r_factor	0.1900
r_work	0.1882
r_free	0.2247

fit	/app/data/saxs_computation/re/9req/9req.fit
pddf	/app/data/pr_computation/re/9req/9req.pr.out
profile	/app/data/saxs_computation/re/9req/9req.dat