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1e7u

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

Method: X-RAY DIFFRACTION D_max: 96.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e7u
deposition_date	2000-09-08
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, WORTMANNIN; 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	30.38 Å
rg_electron	29.34 Å
i0	151520000.00
molecular_weight	100610.0 kDa
excluded_volume	127350 Å³
envelope_volume	158310 Å³
shell_volume	43492 Å³
envelope_diameter	104.0 Å
shell_rg	37.80 Å
envelope_rg	29.49 Å
shape_rg	29.32 Å
total_rg	30.19 Å
total_atoms	7085
n_residues	872
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	96.6 Å
rg_real	30.21 Å
rg_real_error	0.56 Å
i0_real	1.5150e+08
i0_real_error	2.1930e+06
rg_reciprocal	30.29 Å
i0_reciprocal	151500000.0000
total_estimate	0.6846
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	39.0 Å
skewness	0.161
kurtosis	-0.470
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	55090000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 0.077; Positv: 1.000; Valcen: 0.994; Smooth: 0.975

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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	7249

AASEETLAFQRQLNALIGYDVTDVSNVHDDELEFTRRRLVTPRMAEVAGRDPKLYAMHPWVTSKPLPEYLLKKITNNCVFIVIHRSTTSQTIKVSADDTPGTILQSFFTKMAKKKSLMDIPESQNERDFVLRVCGRDEYLVGETPIKNFQWVRQCLKNGEEIHLVLDTPPDPALDEVRKEEWPLVDDCTGVTGYHEQLTIHGKDHESVFTVSLWDCDRKFRVKIRGIDIPVLPRTADLTVFVEANIQYGQQVLCQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCGAKPALSGKTSAEMPSPESKGKAQLLYYVNLLLIDHRFLLRHGEYVLHMWQLSGKGEDQGSFNADKLTSATNPDKENSMSISILLDNYCHPIALPKHRPTPDPEGDRVRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKDPKAYPKLFSSVKWGQQEIVAKTYQLLAKREVWDQSALDVGLTMQLLDCNFSDENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQVIDMLQKVTIDIKSLSAEKYDVSSQVISQLKQKLENLQNLNLPQSFRVPYDPGLKAGALVIEKCKVMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGAFKDEVLSHWLKEKCPIEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMISETGNLFHIDFGHILGNYKSFLGINKERVPFVLTPDFLFVMGTSGKKTSLHFQKFQDVCVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKSEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVLGIKQGEKHSA

Source

organism	SUS SCROFA
common_name	WILD BOAR
ncbi_taxonomy_id	9823
host_organism	SPODOPTERA FRUGIPERDA

Entity 2 non-polymer

description	;(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE ;
formula_weight	428.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	164

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6. Citations (2)

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length_a	145.327 Å
length_b	67.664 Å
length_c	106.650 Å
angle_alpha	90.00 °
angle_beta	95.05 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.000 Å
resolution_low	72.380 Å
r_factor	0.2540
r_work	0.2540
r_free	0.2980

fit	/app/data/saxs_computation/e7/1e7u/1e7u.fit
pddf	/app/data/pr_computation/e7/1e7u/1e7u.pr.out
profile	/app/data/saxs_computation/e7/1e7u/1e7u.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