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9qbs

KEAP1 complexed to cyclic peptide 33

Method: X-RAY DIFFRACTION D_max: 83.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qbs
deposition_date	2025-03-03
title	KEAP1 complexed to cyclic peptide 33
keywords	Cyclic peptide, Protein-protein interaction, STRUCTURAL PROTEIN; STRUCTURAL PROTEIN
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	26.70 Å
rg_electron	26.10 Å
i0	133129000.00
molecular_weight	60171.0 kDa
excluded_volume	57955 Å³
envelope_volume	93179 Å³
shell_volume	30069 Å³
envelope_diameter	86.7 Å
shell_rg	33.26 Å
envelope_rg	25.91 Å
shape_rg	26.23 Å
total_rg	26.42 Å
total_atoms	4676
n_residues	570
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	83.4 Å
rg_real	26.72 Å
rg_real_error	0.51 Å
i0_real	1.3310e+08
i0_real_error	1.8260e+06
rg_reciprocal	26.72 Å
i0_reciprocal	133100000.0000
total_estimate	0.8952
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.3 Å
skewness	0.350
kurtosis	-0.532
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	23070000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.979; Smooth: 0.922

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Kelch-like ECH-associated protein 1
formula_weight	31625.4 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5079

SAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Cyclic peptide
formula_weight	883.1 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

XANAX

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	379

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6. Citations (1)

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length_a	100.847 Å
length_b	100.847 Å
length_c	126.764 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	tetragonal

resolution	1.950 Å
resolution_low	19.540 Å
r_factor	0.1697
r_work	0.1680
r_free	0.2011

fit	/app/data/saxs_computation/qb/9qbs/9qbs.fit
pddf	/app/data/pr_computation/qb/9qbs/9qbs.pr.out
profile	/app/data/saxs_computation/qb/9qbs/9qbs.dat

KEAP1 complexed to cyclic peptide 33

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

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)