← Back to search

1e1x

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027

Method: X-RAY DIFFRACTION D_max: 74.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1e1x
deposition_date	2000-05-11
title	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027
keywords	PROTEIN KINASE, CELL CYCLE, PHOSPHORYLATION, CELL DIVISION, MITOSIS, INHIBITION; PROTEIN KINASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.45 Å
rg_electron	19.35 Å
i0	17242900.00
molecular_weight	33328.0 kDa
excluded_volume	42614 Å³
envelope_volume	48436 Å³
shell_volume	20858 Å³
envelope_diameter	70.1 Å
shell_rg	25.77 Å
envelope_rg	19.65 Å
shape_rg	19.34 Å
total_rg	20.31 Å
total_atoms	2356
n_residues	290
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	74.8 Å
rg_real	20.38 Å
rg_real_error	0.53 Å
i0_real	1.7240e+07
i0_real_error	2.2340e+05
rg_reciprocal	20.39 Å
i0_reciprocal	17240000.0000
total_estimate	0.7560
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	25.6 Å
skewness	0.278
kurtosis	-0.265
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	5082000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.614; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYCLIN-DEPENDENT PROTEIN KINASE 2
formula_weight	34002.5 kDa
ec_number	2.7.1.37
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2499

XMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	SPODOPTERA FRUGIPERDA

Entity 2 non-polymer

description	6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE
formula_weight	251.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	143

▶

6. Citations (1)

▶

length_a	52.650 Å
length_b	69.900 Å
length_c	71.610 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	1.850 Å
resolution_low	25.000 Å
r_factor	—
r_work	0.2130
r_free	0.2810

fit	/app/data/saxs_computation/e1/1e1x/1e1x.fit
pddf	/app/data/pr_computation/e1/1e1x/1e1x.pr.out
profile	/app/data/saxs_computation/e1/1e1x/1e1x.dat

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR NU6027

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