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1e8w

Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine

Method: X-RAY DIFFRACTION D_max: 91.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8w
deposition_date	2000-10-03
title	Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
keywords	PHOSPHOINOSITIDE 3-KINASE GAMMA, SECONDARY MESSENGER GENERATION, PI3K, PI 3K, QUERCETIN; PHOSPHOINOSITIDE 3-KINASE GAMMA
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	30.09 Å
rg_electron	29.09 Å
i0	143792000.00
molecular_weight	98193.0 kDa
excluded_volume	124360 Å³
envelope_volume	154360 Å³
shell_volume	42795 Å³
envelope_diameter	95.5 Å
shell_rg	37.61 Å
envelope_rg	29.17 Å
shape_rg	29.08 Å
total_rg	29.95 Å
total_atoms	6915
n_residues	851
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	91.0 Å
rg_real	29.93 Å
rg_real_error	0.49 Å
i0_real	1.4380e+08
i0_real_error	2.0800e+06
rg_reciprocal	30.00 Å
i0_reciprocal	143800000.0000
total_estimate	0.9022
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	37.8 Å
skewness	0.162
kurtosis	-0.478
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	47050000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.952; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.882

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
formula_weight	109952.6 kDa
ec_number	2.7.1.137
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6915

AASEETLAFQRQLNALIGYDVTDVSNVHDDELEFTRRRLVTPRMAEVAGRDPKLYAMHPWVTSKPLPEYLLKKITNNCVFIVIHRSTTSQTIKVSADDTPGTILQSFFTKMAKKKSLMDIPESQNERDFVLRVCGRDEYLVGETPIKNFQWVRQCLKNGEEIHLVLDTPPDPALDEVRKEEWPLVDDCTGVTGYHEQLTIHGKDHESVFTVSLWDCDRKFRVKIRGIDIPVLPRTADLTVFVEANIQYGQQVLCQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCGKAPALSGKTSAEMPSPESKGKAQLLYYVNLLLIDHRFLLRHGEYVLHMWQLSGKGEDQGSFNADKLTSATNPDKENSMSISILLDNYCHPIALPKHRPTPDPEGDRVRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKDPKAYPKLFSSVKWGQQEIVAKTYQLLAKREVWDQSALDVGLTMQLLDCNFSDENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQVIDMLQKVTIDIKSLSAEKYDVSSQVISQLKQKLENLQNLNLPQSFRVPYDPGLKAGALVIEKCKVMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGAFKDEVLSHWLKEKCPIEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMISETGNLFHIDFGHILGNYKSFLGINKERVPFVLTPDFLFVMGTSGKKTSLHFQKFQDVCVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKSEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVLGIKQGEKHSA

Source

organism	SUS SCROFA
common_name	WILD BOAR
ncbi_taxonomy_id	9823
host_organism	SPODOPTERA FRUGIPERDA

Entity 2 non-polymer

description	3,5,7,3',4'-PENTAHYDROXYFLAVONE
formula_weight	302.2 kDa
src_method	syn
entity_count	1

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6. Citations (2)

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length_a	144.162 Å
length_b	67.435 Å
length_c	106.701 Å
angle_alpha	90.00 °
angle_beta	95.87 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.500 Å
resolution_low	62.450 Å
r_factor	0.2650
r_work	0.2650
r_free	0.3300

fit	/app/data/saxs_computation/e8/1e8w/1e8w.fit
pddf	/app/data/pr_computation/e8/1e8w/1e8w.pr.out
profile	/app/data/saxs_computation/e8/1e8w/1e8w.dat

Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and 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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)