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9uin

Human thioredoxin reductase 1 (SeCys 498 Cys) with Cu(I)

Method: ELECTRON MICROSCOPY D_max: 106.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uin
deposition_date	2025-04-15
title	Human thioredoxin reductase 1 (SeCys 498 Cys) with Cu(I)
keywords	Enzyme, OXIDOREDUCTASE; OXIDOREDUCTASE
method	ELECTRON MICROSCOPY

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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	32.39 Å
rg_electron	31.95 Å
i0	192720000.00
molecular_weight	109820.0 kDa
excluded_volume	136960 Å³
envelope_volume	177490 Å³
shell_volume	46211 Å³
envelope_diameter	110.8 Å
shell_rg	39.10 Å
envelope_rg	31.92 Å
shape_rg	31.97 Å
total_rg	32.44 Å
total_atoms	7690
n_residues	968
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	106.0 Å
rg_real	32.36 Å
rg_real_error	0.79 Å
i0_real	1.9270e+08
i0_real_error	3.4370e+06
rg_reciprocal	32.38 Å
i0_reciprocal	192700000.0000
total_estimate	0.8847
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	39.0 Å
skewness	0.360
kurtosis	-0.287
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	87520000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.857; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.925

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Thioredoxin reductase 1, cytoplasmic
formula_weight	54770.5 kDa
ec_number	1.8.1.9,1.11.1.2
mutation	SEC498C
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,A
atom_count	7690

MNGPEDLPKSYDYDLIIIGGGSGGLAAAKEAAQYGKKVMVLDFVTPTPLGTRWGLGGTCVNVGCIPKKLMHQAALLGQALQDSRNYGWKVEETVKHDWDRMIEAVQNHIGSLNWGYRVALREKKVVYENAYGQFIGPHRIKATNNKGKEKIYSAERFLIATGERPRYLGIPGDKEYCISSDDLFSLPYCPGKTLVVGASYVALECAGFLAGIGLDVTVMVRSILLRGFDQDMANKIGEHMEEHGIKFIRQFVPIKVEQIEAGTPGRLRVVAQSTNSEEIIEGEYNTVMLAIGRDACTRKIGLETVGVKINEKTGKIPVTDEEQTNVPYIYAIGDILEDKVELTPVAIQAGRLLAQRLYAGSTVKCDYENVPTTVFTPLEYGACGLSEEKAVEKFGEENIEVYHSYFWPLEWTIPSRDNNKCYAKIICNTKDNERVVGFHVLGPNAGEVTQGFAAALKCGLTKKQLDSTIGIHPVCAEVFTTLSVTKRSGASILQAGCCG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Homo

Entity 2 non-polymer

description	1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
formula_weight	747.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	COPPER (II) ION
formula_weight	63.5 kDa
src_method	syn
entity_count	6

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	3.03 Å
resolution_method	—
num_particles	63765

fit	/app/data/saxs_computation/ui/9uin/9uin.fit
pddf	/app/data/pr_computation/ui/9uin/9uin.pr.out
profile	/app/data/saxs_computation/ui/9uin/9uin.dat