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1dx6

STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION

Method: X-RAY DIFFRACTION D_max: 74.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dx6
deposition_date	1999-12-21
title	STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH (-)-GALANTHAMINE AT 2.3A RESOLUTION
keywords	;HYDROLASE, SERINE HYDROLASE, CHOLINESTERASE, ALZHEIMER'S DISEASE ;; HYDROLASE
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	23.92 Å
rg_electron	22.57 Å
i0	59201400.00
molecular_weight	60924.0 kDa
excluded_volume	76454 Å³
envelope_volume	86422 Å³
shell_volume	30541 Å³
envelope_diameter	79.2 Å
shell_rg	30.93 Å
envelope_rg	22.96 Å
shape_rg	22.52 Å
total_rg	23.65 Å
total_atoms	4300
n_residues	528
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	74.8 Å
rg_real	23.75 Å
rg_real_error	0.33 Å
i0_real	5.9200e+07
i0_real_error	7.4770e+05
rg_reciprocal	23.79 Å
i0_reciprocal	59200000.0000
total_estimate	0.8941
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.4 Å
skewness	0.143
kurtosis	-0.423
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	17340000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.965

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	ACETYLCHOLINESTERASE
formula_weight	61325.1 kDa
ec_number	3.1.1.7
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4563

DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDGELSS

Entity 2 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	TETRAETHYLENE GLYCOL
formula_weight	194.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	(-)-GALANTHAMINE
formula_weight	287.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	263

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6. Citations (1)

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length_a	111.234 Å
length_b	111.234 Å
length_c	136.967 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.300 Å
resolution_low	29.070 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2350

fit	/app/data/saxs_computation/dx/1dx6/1dx6.fit
pddf	/app/data/pr_computation/dx/1dx6/1dx6.pr.out
profile	/app/data/saxs_computation/dx/1dx6/1dx6.dat