← Back to search

9reo

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F299

Method: X-RAY DIFFRACTION D_max: 65.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9reo
deposition_date	2025-06-03
title	Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F299
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	20.92 Å
rg_electron	19.89 Å
i0	50010200.00
molecular_weight	37391.0 kDa
excluded_volume	36469 Å³
envelope_volume	57324 Å³
shell_volume	23415 Å³
envelope_diameter	68.4 Å
shell_rg	27.00 Å
envelope_rg	20.12 Å
shape_rg	19.85 Å
total_rg	20.63 Å
total_atoms	2829
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	65.9 Å
rg_real	20.79 Å
rg_real_error	0.29 Å
i0_real	5.0010e+07
i0_real_error	6.8020e+05
rg_reciprocal	20.82 Å
i0_reciprocal	50010000.0000
total_estimate	0.8980
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	64.0 Å
skewness	0.179
kurtosis	-0.415
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	10850000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.893; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.998

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

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	3225

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	(3~{S},7~{R})-2-oxa-9$l^{6}-thia-5,8,14-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene 9,9-dioxide
formula_weight	241.3 kDa
src_method	syn
entity_count	5

Entity 3 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	5

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	247

▶

6. Citations (1)

▶

length_a	51.600 Å
length_b	71.305 Å
length_c	96.757 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	1.450 Å
resolution_low	24.190 Å
r_factor	0.1520
r_work	0.1508
r_free	0.1754

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

Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F299

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