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1e9h

Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound

Method: X-RAY DIFFRACTION D_max: 135.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e9h
deposition_date	2000-10-16
title	Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound
keywords	CELL CYCLE, COMPLEX (PROTEIN KINASE-CYCLIN), KINASES, INHIBITOR, CYCLIN, COMPLEX, PHOSPHORYLATION; CELL CYCLE
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	41.09 Å
rg_electron	41.15 Å
i0	218526000.00
molecular_weight	127400.0 kDa
excluded_volume	162180 Å³
envelope_volume	212860 Å³
shell_volume	44495 Å³
envelope_diameter	139.9 Å
shell_rg	44.82 Å
envelope_rg	40.38 Å
shape_rg	41.13 Å
total_rg	41.44 Å
total_atoms	8986
n_residues	1107
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	135.7 Å
rg_real	41.30 Å
rg_real_error	1.16 Å
i0_real	2.1850e+08
i0_real_error	4.0360e+06
rg_reciprocal	41.09 Å
i0_reciprocal	218500000.0000
total_estimate	0.8484
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	35.7 Å
skewness	0.398
kurtosis	-0.623
angular_range	— – 0.1900 Å⁻¹
current_alpha	0.0000
highest_alpha	26950000.0000
n_real_points	39
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.884; Smooth: 0.568

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	CELL DIVISION PROTEIN KINASE 2
formula_weight	33873.2 kDa
ec_number	2.7.1.37
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	9355

SMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHL

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	CYCLIN A3
formula_weight	29964.7 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

VPDYHEDIHTYLREMEVKCKPKVGYMKKQPDITNSMRAILVDWLVEVGEEYKLQNETLHLAVNYIDRFLSSMSVLRGKLQLVGTAAMLLASKFEEIYPPEVAEFVYITDDTYTKKQVLRMEHLVLKVLTFDLAAPTVNQFLTQYFLHQQPANCKVESLAMFLGELSLIDADPYLKYLPSVIAGAAFHLALYTVTGQSWPESLIRKTGYTLESLKPCLMDLHQTYLKAPQHAQQSIREKYKNSKYHGVSLLNPPETLNLLNL

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

description	;2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID ;
formula_weight	342.3 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	369

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6. Citations (1)

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length_a	73.801 Å
length_b	133.804 Å
length_c	150.436 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	100.000 Å
r_factor	0.2250
r_work	0.2250
r_free	0.2730

fit	/app/data/saxs_computation/e9/1e9h/1e9h.fit
pddf	/app/data/pr_computation/e9/1e9h/1e9h.pr.out
profile	/app/data/saxs_computation/e9/1e9h/1e9h.dat

Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)