Structure of human PKCBeta Kinase domain with Ruboxistaurin, D427N mutant

Method: X-RAY DIFFRACTION D_max: 72.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9s9t
deposition_date	2025-08-06
title	Structure of human PKCBeta Kinase domain with Ruboxistaurin, D427N mutant
keywords	Kinase, Inhibitor, Mutant, TRANSFERASE; 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	21.66 Å
rg_electron	20.30 Å
i0	22243300.00
molecular_weight	36473.0 kDa
excluded_volume	45860 Å³
envelope_volume	54405 Å³
shell_volume	22182 Å³
envelope_diameter	73.2 Å
shell_rg	27.14 Å
envelope_rg	20.62 Å
shape_rg	20.28 Å
total_rg	21.32 Å
total_atoms	5001
n_residues	312
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	72.0 Å
rg_real	21.56 Å
rg_real_error	0.45 Å
i0_real	2.2240e+07
i0_real_error	2.5560e+05
rg_reciprocal	21.58 Å
i0_reciprocal	22240000.0000
total_estimate	0.8835
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.9 Å
skewness	0.240
kurtosis	-0.398
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	6402000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.839; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.969

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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	102.327 Å
length_b	102.327 Å
length_c	82.827 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	3.425 Å
resolution_low	60.511 Å
r_factor	—
r_work	0.2142
r_free	0.2897

description	Isoform Beta-II of Protein kinase C beta type
formula_weight	40751.3 kDa
ec_number	2.7.11.13
mutation	D427N
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	5001

Structure of human PKCBeta Kinase domain with Ruboxistaurin, D427N mutant

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	;(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE ;
formula_weight	468.5 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/s9/9s9t/9s9t.fit
pddf	/app/data/pr_computation/s9/9s9t/9s9t.pr.out
profile	/app/data/saxs_computation/s9/9s9t/9s9t.dat