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1e3g

Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881)

Method: X-RAY DIFFRACTION D_max: 62.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3g
deposition_date	2000-06-14
title	Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881)
keywords	ANDROGEN RECEPTOR, HUMAN ANDROGEN RECEPTOR, LIGAND BINDING DOMAIN; ANDROGEN RECEPTOR
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	19.62 Å
rg_electron	18.22 Å
i0	14004300.00
molecular_weight	29386.0 kDa
excluded_volume	37305 Å³
envelope_volume	42206 Å³
shell_volume	19245 Å³
envelope_diameter	63.1 Å
shell_rg	24.72 Å
envelope_rg	18.61 Å
shape_rg	18.19 Å
total_rg	19.28 Å
total_atoms	2064
n_residues	250
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	62.4 Å
rg_real	19.52 Å
rg_real_error	0.38 Å
i0_real	1.4000e+07
i0_real_error	1.7680e+05
rg_reciprocal	19.54 Å
i0_reciprocal	14000000.0000
total_estimate	0.8143
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.6 Å
skewness	0.230
kurtosis	-0.337
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	3330000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ANDROGEN RECEPTOR
formula_weight	30664.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2090

QKLTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	(17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE
formula_weight	284.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	26

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6. Citations (1)

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length_a	54.280 Å
length_b	66.140 Å
length_c	71.720 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	24.400 Å
r_factor	0.2100
r_work	0.2100
r_free	0.2970

fit	/app/data/saxs_computation/e3/1e3g/1e3g.fit
pddf	/app/data/pr_computation/e3/1e3g/1e3g.pr.out
profile	/app/data/saxs_computation/e3/1e3g/1e3g.dat

Human Androgen Receptor Ligand Binding in complex with the ligand metribolone (R1881)

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