← Back to search

11gs

Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii)

Method: X-RAY DIFFRACTION D_max: 64.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	11gs
deposition_date	1997-11-03
title	Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii)
keywords	TRANSFERASE, ETHACRYNIC ACID; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	21.89 Å
rg_electron	20.83 Å
i0	36680600.00
molecular_weight	47860.0 kDa
excluded_volume	60345 Å³
envelope_volume	67952 Å³
shell_volume	26163 Å³
envelope_diameter	67.3 Å
shell_rg	28.26 Å
envelope_rg	20.93 Å
shape_rg	20.83 Å
total_rg	21.76 Å
total_atoms	3364
n_residues	416
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

▼

3. P(r) Analysis (GNOM)

dmax	64.5 Å
rg_real	21.71 Å
rg_real_error	0.23 Å
i0_real	3.6680e+07
i0_real_error	4.6760e+05
rg_reciprocal	21.74 Å
i0_reciprocal	36680000.0000
total_estimate	0.9087
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.9 Å
skewness	0.095
kurtosis	-0.519
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	10460000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.987

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	GLUTATHIONE S-TRANSFERASE
formula_weight	23377.8 kDa
ec_number	2.5.1.18
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3538

MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLUTATHIONE
formula_weight	307.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	ETHACRYNIC ACID
formula_weight	303.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	174

▶

6. Citations (1)

▶

length_a	77.780 Å
length_b	89.560 Å
length_c	68.650 Å
angle_alpha	90.00 °
angle_beta	97.62 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.300 Å
resolution_low	15.000 Å
r_factor	0.2140
r_work	0.2140
r_free	0.2700

fit	/app/data/saxs_computation/1g/11gs/11gs.fit
pddf	/app/data/pr_computation/1g/11gs/11gs.pr.out
profile	/app/data/saxs_computation/1g/11gs/11gs.dat