;HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE ;

Method: SOLUTION NMR D_max: 49.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cqh
deposition_date	1996-04-02
title	;HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE ;
keywords	COMPLEX, ELECTRON TRANSPORT/PEPTIDE, COMPLEX (ELECTRON TRANSPORT-PEPTIDE) COMPLEX; COMPLEX (ELECTRON TRANSPORT/PEPTIDE)
method	SOLUTION NMR

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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	15.00 Å
rg_electron	13.53 Å
i0	3294420.00
molecular_weight	12978.0 kDa
excluded_volume	16399 Å³
envelope_volume	18690 Å³
shell_volume	11768 Å³
envelope_diameter	48.8 Å
shell_rg	19.28 Å
envelope_rg	13.90 Å
shape_rg	13.48 Å
total_rg	14.99 Å
total_atoms	1817
n_residues	118
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	49.1 Å
rg_real	14.91 Å
rg_real_error	0.24 Å
i0_real	3.2940e+06
i0_real_error	3.7960e+04
rg_reciprocal	14.92 Å
i0_reciprocal	3294000.0000
total_estimate	0.7965
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.0 Å
skewness	0.185
kurtosis	-0.258
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	889000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.784; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (4)

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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	1

space_group	P 1
int_tables_number	1
crystal_system	—

description	THIOREDOXIN
formula_weight	11592.1 kDa
mutation	CHAIN A, C35A, C62A, C69A, C73A
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	1817

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606

;HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN REF-1 (RESIDUES 59-71 OF THE P50 SUBUNIT OF NFKB), NMR, MINIMIZED AVERAGE STRUCTURE ;

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)

description	REF-1 PEPTIDE
formula_weight	1404.6 kDa
ec_number	4.2.99.18
src_method	man
entity_count	1

fit	/app/data/saxs_computation/cq/1cqh/1cqh.fit
pddf	/app/data/pr_computation/cq/1cqh/1cqh.pr.out
profile	/app/data/saxs_computation/cq/1cqh/1cqh.dat