← Back to search

1aqw

GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE

Method: X-RAY DIFFRACTION D_max: 117.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1aqw
deposition_date	1997-08-03
title	GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE
keywords	TRANSFERASE, GLUTATHIONE S-TRANSFERASE, CLASS PI, transferase-substrate complex; transferase/substrate
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	35.51 Å
rg_electron	35.49 Å
i0	132218000.00
molecular_weight	94897.0 kDa
excluded_volume	119780 Å³
envelope_volume	150220 Å³
shell_volume	36772 Å³
envelope_diameter	121.1 Å
shell_rg	39.90 Å
envelope_rg	35.07 Å
shape_rg	35.48 Å
total_rg	35.81 Å
total_atoms	6976
n_residues	836
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	117.3 Å
rg_real	35.78 Å
rg_real_error	1.04 Å
i0_real	1.3220e+08
i0_real_error	2.2540e+06
rg_reciprocal	35.62 Å
i0_reciprocal	132200000.0000
total_estimate	0.8096
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.3 Å
skewness	0.455
kurtosis	-0.634
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	81200000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.678; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.786; Smooth: 0.700

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	GLUTATHIONE S-TRANSFERASE
formula_weight	23246.6 kDa
ec_number	2.5.1.18
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	7327

PPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ

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	4

Entity 3 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	351

▶

6. Citations (2)

▶

length_a	90.290 Å
length_b	74.670 Å
length_c	69.500 Å
angle_alpha	90.00 °
angle_beta	90.07 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	8.000 Å
r_factor	0.2060
r_work	0.2060
r_free	0.2610

fit	/app/data/saxs_computation/aq/1aqw/1aqw.fit
pddf	/app/data/pr_computation/aq/1aqw/1aqw.pr.out
profile	/app/data/saxs_computation/aq/1aqw/1aqw.dat

GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE

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