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1eh5

CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH PALMITATE

Method: X-RAY DIFFRACTION D_max: 65.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eh5
deposition_date	2000-02-18
title	CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH PALMITATE
keywords	ALPHA/BETA HYDROLASE, GLYCOPROTEIN, HYDROLASE; 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	19.40 Å
rg_electron	18.35 Å
i0	17671400.00
molecular_weight	32465.0 kDa
excluded_volume	40927 Å³
envelope_volume	46178 Å³
shell_volume	20540 Å³
envelope_diameter	67.5 Å
shell_rg	25.14 Å
envelope_rg	18.71 Å
shape_rg	18.32 Å
total_rg	19.42 Å
total_atoms	2283
n_residues	279
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	65.5 Å
rg_real	19.27 Å
rg_real_error	0.40 Å
i0_real	1.7670e+07
i0_real_error	2.2900e+05
rg_reciprocal	19.29 Å
i0_reciprocal	17670000.0000
total_estimate	0.7908
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.158
kurtosis	-0.332
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0000
highest_alpha	3285000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.759; Stabil: 1.000; 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 (5)

Entity 1 polymer

description	PALMITOYL PROTEIN THIOESTERASE 1
formula_weight	31447.1 kDa
ec_number	3.1.2.22
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2319

DPPAPLPLVIWHGMGDSCCNPLSMGAIKKMVEKKIPGIHVLSLEIGKTLREDVENSFFLNVNSQVTTVCQILAKDPKLQQGYNAMGFSQGGQFLRAVAQRCPSPPMVNLISVGGQHQGVFGLPRCPGESSHICDFIRKTLNAGAYNKAIQERLVQAEYWHDPIREDIYRNHSIFLADINQERGVNESYKKNLMALKKFVMVKFLNDTIVDPVDSEWFGFYRSGQAKETIPLQESTLYTQDRLGLKAMDKAGQLVFLALEGDHLQLSEEWFYAHIIPFLE

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Spodoptera frugiperda

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

Entity 4 non-polymer

description	PALMITIC ACID
formula_weight	256.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	36

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6. Citations (3)

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length_a	67.520 Å
length_b	67.520 Å
length_c	128.920 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 2 2
int_tables_number	91
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.2337
r_work	0.2262
r_free	0.2700

fit	/app/data/saxs_computation/eh/1eh5/1eh5.fit
pddf	/app/data/pr_computation/eh/1eh5/1eh5.pr.out
profile	/app/data/saxs_computation/eh/1eh5/1eh5.dat