← Back to search

1di8

THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

Method: X-RAY DIFFRACTION D_max: 67.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1di8
deposition_date	1999-11-29
title	THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
keywords	SERINE/THREONINE PROTEIN KINASE, CELL CYCLE, ATP-BINDING, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.83 Å
rg_electron	19.69 Å
i0	16181600.00
molecular_weight	32301.0 kDa
excluded_volume	41344 Å³
envelope_volume	48134 Å³
shell_volume	20563 Å³
envelope_diameter	67.6 Å
shell_rg	26.07 Å
envelope_rg	19.93 Å
shape_rg	19.68 Å
total_rg	20.68 Å
total_atoms	2284
n_residues	283
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	67.2 Å
rg_real	20.76 Å
rg_real_error	0.32 Å
i0_real	1.6180e+07
i0_real_error	1.9490e+05
rg_reciprocal	20.78 Å
i0_reciprocal	16180000.0000
total_estimate	0.8928
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.284
kurtosis	-0.327
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	4389000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.869; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.995

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	CYCLIN-DEPENDENT KINASE 2
formula_weight	33976.5 kDa
ec_number	2.7.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2397

MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	unidentified baculovirus

Entity 2 non-polymer

description	4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE
formula_weight	297.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	113

▶

6. Citations (1)

▶

length_a	72.752 Å
length_b	74.076 Å
length_c	54.005 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	2.200 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1860
r_free	0.2260

fit	/app/data/saxs_computation/di/1di8/1di8.fit
pddf	/app/data/pr_computation/di/1di8/1di8.pr.out
profile	/app/data/saxs_computation/di/1di8/1di8.dat

THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

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