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1b48

;CRYSTAL STRUCTURE OF MGSTA4-4 IN COMPLEX WITH GSH CONJUGATE OF 4-HYDROXYNONENAL IN ONE SUBUNIT AND GSH IN THE OTHER: EVIDENCE OF SIGNALING ACROSS DIMER INTERFACE IN MGSTA4-4 ;

Method: X-RAY DIFFRACTION D_max: 66.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b48
deposition_date	1999-01-06
title	;CRYSTAL STRUCTURE OF MGSTA4-4 IN COMPLEX WITH GSH CONJUGATE OF 4-HYDROXYNONENAL IN ONE SUBUNIT AND GSH IN THE OTHER: EVIDENCE OF SIGNALING ACROSS DIMER INTERFACE IN MGSTA4-4 ;
keywords	GLUTATHIONE S-TRANSFERASE, GST, SUBUNIT COOPERATIVITY, TRANSFERASE; 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	22.86 Å
rg_electron	21.73 Å
i0	39565100.00
molecular_weight	51660.0 kDa
excluded_volume	65936 Å³
envelope_volume	76795 Å³
shell_volume	28325 Å³
envelope_diameter	67.1 Å
shell_rg	29.45 Å
envelope_rg	21.69 Å
shape_rg	21.74 Å
total_rg	22.63 Å
total_atoms	3637
n_residues	442
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	66.3 Å
rg_real	22.67 Å
rg_real_error	0.22 Å
i0_real	3.9570e+07
i0_real_error	4.3570e+05
rg_reciprocal	22.72 Å
i0_reciprocal	39570000.0000
total_estimate	0.9089
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	29.6 Å
skewness	0.054
kurtosis	-0.541
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	10760000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.960; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.962

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (GLUTATHIONE S-TRANSFERASE)
formula_weight	25476.7 kDa
ec_number	2.5.1.18
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3677

AAKPKLYYFNGRGRMESIRWLLAAAGVEFEEEFLETREQYEKMQKDGHLLFGQVPLVEIDGMMLTQTRAILSYLAAKYNLYGKDLKERVRIDMYADGTQDLMMMIAVAPFKTPKEKEESYDLILSRAKTRYFPVFEKILKDHGEAFLVGNQLSWADIQLLEAILMVEELSAPVLSDFPLLQAFKTRISNIPTIKKFLQPGSQRKPPPDGPYVEVVRIVLKF

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-FURAN-2-OL
formula_weight	463.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	GLUTATHIONE
formula_weight	307.3 kDa
src_method	syn
entity_count	1

Entity 4 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	114.450 Å
length_b	96.140 Å
length_c	50.840 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	0.2440
r_work	0.2440
r_free	0.3170

fit	/app/data/saxs_computation/b4/1b48/1b48.fit
pddf	/app/data/pr_computation/b4/1b48/1b48.pr.out
profile	/app/data/saxs_computation/b4/1b48/1b48.dat

;CRYSTAL STRUCTURE OF MGSTA4-4 IN COMPLEX WITH GSH CONJUGATE OF 4-HYDROXYNONENAL IN ONE SUBUNIT AND GSH IN THE OTHER: EVIDENCE OF SIGNALING ACROSS DIMER INTERFACE IN MGSTA4-4 ;

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