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1e8z

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

Method: X-RAY DIFFRACTION D_max: 95.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8z
deposition_date	2000-10-03
title	Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
keywords	TRANSFERASE, PHOSPHOINOSITIDE 3-KINASE GAMMA, SECONDARY MESSENGER GENERATION, PI3K, PI 3K, STAUROSPORINE; TRANSFERASE
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	29.90 Å
rg_electron	28.83 Å
i0	141810000.00
molecular_weight	97018.0 kDa
excluded_volume	122710 Å³
envelope_volume	151780 Å³
shell_volume	42436 Å³
envelope_diameter	104.0 Å
shell_rg	37.25 Å
envelope_rg	29.06 Å
shape_rg	28.82 Å
total_rg	29.69 Å
total_atoms	6836
n_residues	839
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	95.6 Å
rg_real	29.75 Å
rg_real_error	0.57 Å
i0_real	1.4180e+08
i0_real_error	2.1990e+06
rg_reciprocal	29.82 Å
i0_reciprocal	141800000.0000
total_estimate	0.8950
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	37.9 Å
skewness	0.169
kurtosis	-0.448
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	48250000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.890; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.968

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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	110756.2 kDa
ec_number	2.7.1.137
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6876

MSEESQAFQRQLTALIGYDVTDVSNVHDDELEFTRRGLVTPRMAEVASRDPKLYAMHPWVTSKPLPEYLWKKIANNCIFIVIHRSTTSQTIKVSPDDTPGAILQSFFTKMAKKKSLMDIPESQSEQDFVLRVCGRDEYLVGETPIKNFQWVRHCLKNGEEIHVVLDTPPDPALDEVRKEEWPLVDDCTGVTGYHEQLTIHGKDHESVFTVSLWDCDRKFRVKIRGIDIPVLPRNTDLTVFVEANIQHGQQVLCQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCGKAPALSSKASAESPSSESKGKVRLLYYVNLLLIDHRFLLRRGEYVLHMWQISGKGEDQGSFNADKLTSATNPDKENSMSISILLDNYCHPIALPKHQPTPDPEGDRVRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKHPKAYPKLFSSVKWGQQEIVAKTYQLLARREVWDQSALDVGLTMQLLDCNFSDENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQVIEMLQKVTLDIKSLSAEKYDVSSQVISQLKQKLENLQNSQLPESFRVPYDPGLKAGALAIEKCKVMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGAFKDEVLNHWLKEKSPTEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMITETGNLFHIDFGHILGNYKSFLGINKERVPFVLTPDFLFVMGTSGKKTSPHFQKFQDICVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVLGIKQGEKHSAHHHHHH

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	SPODOPTERA FRUGIPERDA

Entity 2 non-polymer

description	STAUROSPORINE
formula_weight	466.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	40

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6. Citations (2)

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length_a	139.486 Å
length_b	66.988 Å
length_c	104.115 Å
angle_alpha	90.00 °
angle_beta	97.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.400 Å
resolution_low	60.840 Å
r_factor	0.2320
r_work	0.2320
r_free	0.2910

fit	/app/data/saxs_computation/e8/1e8z/1e8z.fit
pddf	/app/data/pr_computation/e8/1e8z/1e8z.pr.out
profile	/app/data/saxs_computation/e8/1e8z/1e8z.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