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1ckp

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B

Method: X-RAY DIFFRACTION D_max: 65.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ckp
deposition_date	1998-07-14
title	HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B
keywords	PROTEIN KINASE, CELL CYCLE, PHOSPHORYLATION, CELL DIVISION, MITOSIS, INHIBITION, HORMONE-GROWTH FACTOR COMPLEX; HORMONE/GROWTH FACTOR
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	20.60 Å
rg_electron	19.54 Å
i0	16127900.00
molecular_weight	32112.0 kDa
excluded_volume	41051 Å³
envelope_volume	46864 Å³
shell_volume	20210 Å³
envelope_diameter	66.9 Å
shell_rg	25.70 Å
envelope_rg	19.75 Å
shape_rg	19.54 Å
total_rg	20.49 Å
total_atoms	2269
n_residues	279
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	65.8 Å
rg_real	20.53 Å
rg_real_error	0.29 Å
i0_real	1.6130e+07
i0_real_error	1.9390e+05
rg_reciprocal	20.55 Å
i0_reciprocal	16130000.0000
total_estimate	0.8940
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.8 Å
skewness	0.285
kurtosis	-0.328
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4619000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (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	2381

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	PURVALANOL B
formula_weight	432.9 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	91

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6. Citations (4)

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length_a	53.550 Å
length_b	71.350 Å
length_c	72.000 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	2.050 Å
resolution_low	32.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2600

fit	/app/data/saxs_computation/ck/1ckp/1ckp.fit
pddf	/app/data/pr_computation/ck/1ckp/1ckp.pr.out
profile	/app/data/saxs_computation/ck/1ckp/1ckp.dat

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B

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