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1e90

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

Method: X-RAY DIFFRACTION D_max: 90.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e90
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, MYRICETIN; 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	30.02 Å
rg_electron	29.00 Å
i0	142026000.00
molecular_weight	97441.0 kDa
excluded_volume	123420 Å³
envelope_volume	153700 Å³
shell_volume	42752 Å³
envelope_diameter	95.4 Å
shell_rg	37.46 Å
envelope_rg	29.10 Å
shape_rg	28.98 Å
total_rg	29.86 Å
total_atoms	6862
n_residues	844
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	90.8 Å
rg_real	29.86 Å
rg_real_error	0.46 Å
i0_real	1.4200e+08
i0_real_error	2.0830e+06
rg_reciprocal	29.93 Å
i0_reciprocal	142000000.0000
total_estimate	0.9035
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	89.1 Å
skewness	0.155
kurtosis	-0.478
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	45840000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.903

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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	6862

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-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
formula_weight	318.2 kDa
src_method	syn
entity_count	1

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6. Citations (2)

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length_a	143.679 Å
length_b	67.735 Å
length_c	106.988 Å
angle_alpha	90.00 °
angle_beta	95.94 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.700 Å
resolution_low	39.300 Å
r_factor	0.2720
r_work	0.2720
r_free	0.3020

fit	/app/data/saxs_computation/e9/1e90/1e90.fit
pddf	/app/data/pr_computation/e9/1e90/1e90.pr.out
profile	/app/data/saxs_computation/e9/1e90/1e90.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)