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1aq1

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE

Method: X-RAY DIFFRACTION D_max: 69.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aq1
deposition_date	1997-08-05
title	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE
keywords	PROTEIN KINASE, CELL CYCLE, PHOSPHORYLATION, STAUROSPORINE, CELL DIVISION, MITOSIS, INHIBITION; PROTEIN KINASE
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	20.84 Å
rg_electron	19.76 Å
i0	15736900.00
molecular_weight	32025.0 kDa
excluded_volume	41044 Å³
envelope_volume	47661 Å³
shell_volume	20384 Å³
envelope_diameter	71.2 Å
shell_rg	26.01 Å
envelope_rg	20.02 Å
shape_rg	19.75 Å
total_rg	20.75 Å
total_atoms	2265
n_residues	277
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	69.4 Å
rg_real	20.80 Å
rg_real_error	0.50 Å
i0_real	1.5740e+07
i0_real_error	2.1300e+05
rg_reciprocal	20.81 Å
i0_reciprocal	15740000.0000
total_estimate	0.8034
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.320
kurtosis	-0.278
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	4121000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.814; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYCLIN-DEPENDENT PROTEIN KINASE 2
formula_weight	33976.5 kDa
ec_number	2.7.1.37
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2390

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	STAUROSPORINE
formula_weight	466.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	125

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6. Citations (2)

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length_a	53.500 Å
length_b	70.500 Å
length_c	73.600 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	2.000 Å
resolution_low	25.000 Å
r_factor	—
r_work	0.2200
r_free	0.2600

fit	/app/data/saxs_computation/aq/1aq1/1aq1.fit
pddf	/app/data/pr_computation/aq/1aq1/1aq1.pr.out
profile	/app/data/saxs_computation/aq/1aq1/1aq1.dat

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE

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