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1dnc

HUMAN GLUTATHIONE REDUCTASE MODIFIED BY DIGLUTATHIONE-DINITROSO-IRON

Method: X-RAY DIFFRACTION D_max: 76.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dnc
deposition_date	1998-02-20
title	HUMAN GLUTATHIONE REDUCTASE MODIFIED BY DIGLUTATHIONE-DINITROSO-IRON
keywords	SULFHYDRYL OXIDATION, SULFINIC ACID, NITRIC OXIDE, OXIDOREDUCTASE; OXIDOREDUCTASE
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	24.92 Å
rg_electron	24.00 Å
i0	44782700.00
molecular_weight	51135.0 kDa
excluded_volume	63841 Å³
envelope_volume	78950 Å³
shell_volume	27255 Å³
envelope_diameter	78.6 Å
shell_rg	31.40 Å
envelope_rg	24.06 Å
shape_rg	24.01 Å
total_rg	24.83 Å
total_atoms	3579
n_residues	460
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	76.1 Å
rg_real	24.77 Å
rg_real_error	0.45 Å
i0_real	4.4780e+07
i0_real_error	6.3950e+05
rg_reciprocal	24.81 Å
i0_reciprocal	44780000.0000
total_estimate	0.9138
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.6 Å
skewness	0.123
kurtosis	-0.584
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	9015000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.960; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GLUTATHIONE REDUCTASE
formula_weight	51668.2 kDa
ec_number	1.6.4.2
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4097

ACRQEPQPQGPPPAAGAVASYDYLVIGGGSGGLASARRAAELGARAAVVESHKLGGTCVNVGCVPKKVMWNTAVHSEFMHDHADYGFPSCEGKFNWRVIKEKRDAYVSRLNAIYQNNLTKSHIEIIRGHAAFTSDPKPTIEVSGKKYTAPHILIATGGMPSTPHESQIPGASLGITSDGFFQLEELPGRSVIVGAGYIAVEMAGILSALGSKTSLMIRHDKVLRSFDSMISTNCTEELENAGVEVLKFSQVKEVKKTLSGLEVSMVTAVPGRLPVMTMIPDVDCLLWAIGRVPNTKDLSLNKLGIQTDDKGHIIVDEFQNTNVKGIYAVGDVCGKALLTPVAIAAGRKLAHRLFEYKEDSKLDYNNIPTVVFSHPPIGTVGLTEDEAIHKYGIENVKTYSTSFTPMYHAVTKRKTKCVMKMVCANKEEKVVGIHMQGLGCDEMLQGFAVAVKMGATKADFDNTVAIHPTSSEELVTLR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	GLUTATHIONE
formula_weight	307.3 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	518

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6. Citations (1)

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length_a	120.080 Å
length_b	63.400 Å
length_c	84.700 Å
angle_alpha	90.00 °
angle_beta	58.33 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.700 Å
resolution_low	10.000 Å
r_factor	0.2050
r_work	0.2050
r_free	0.2480

fit	/app/data/saxs_computation/dn/1dnc/1dnc.fit
pddf	/app/data/pr_computation/dn/1dnc/1dnc.pr.out
profile	/app/data/saxs_computation/dn/1dnc/1dnc.dat