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10gs

HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117

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

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10gs
deposition_date	1997-08-14
title	HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117
keywords	;DETOXIFYING ENZYME, TER117, TLK117, RP298, TELINTRA, EZATIOSTAT HCL, MYELODYSPLASTIC SYNDROME, TRANSFERASE-TRANSFERASE INHIBITOR complex ;; TRANSFERASE/TRANSFERASE INHIBITOR
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	22.09 Å
rg_electron	21.04 Å
i0	35676300.00
molecular_weight	47587.0 kDa
excluded_volume	60164 Å³
envelope_volume	69028 Å³
shell_volume	26383 Å³
envelope_diameter	68.0 Å
shell_rg	28.38 Å
envelope_rg	21.08 Å
shape_rg	21.03 Å
total_rg	21.96 Å
total_atoms	3352
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

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3. P(r) Analysis (GNOM)

dmax	65.5 Å
rg_real	21.90 Å
rg_real_error	0.25 Å
i0_real	3.5680e+07
i0_real_error	4.0400e+05
rg_reciprocal	21.94 Å
i0_reciprocal	35680000.0000
total_estimate	0.9087
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.096
kurtosis	-0.523
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	9905000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.944; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.999

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	GLUTATHIONE S-TRANSFERASE P1-1
formula_weight	23246.6 kDa
ec_number	2.5.1.18
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3521

PPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGDLTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYVKALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAYVGRLSARPKLKAFLASPEYVNLPINGNGKQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide
formula_weight	473.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	169

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6. Citations (2)

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length_a	79.723 Å
length_b	90.460 Å
length_c	69.404 Å
angle_alpha	90.00 °
angle_beta	98.19 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.200 Å
resolution_low	15.000 Å
r_factor	0.1762
r_work	0.1762
r_free	0.2140

fit	/app/data/saxs_computation/0g/10gs/10gs.fit
pddf	/app/data/pr_computation/0g/10gs/10gs.pr.out
profile	/app/data/saxs_computation/0g/10gs/10gs.dat

HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117

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