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9qdu

KEAP1 complexed to cyclic peptide 30

Method: X-RAY DIFFRACTION D_max: 57.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qdu
deposition_date	2025-03-06
title	KEAP1 complexed to cyclic peptide 30
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	18.60 Å
rg_electron	17.64 Å
i0	35646000.00
molecular_weight	30523.0 kDa
excluded_volume	29335 Å³
envelope_volume	44707 Å³
shell_volume	20380 Å³
envelope_diameter	59.1 Å
shell_rg	24.75 Å
envelope_rg	17.89 Å
shape_rg	17.60 Å
total_rg	18.39 Å
total_atoms	2348
n_residues	287
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	57.7 Å
rg_real	18.44 Å
rg_real_error	0.22 Å
i0_real	3.5650e+07
i0_real_error	4.2670e+05
rg_reciprocal	18.47 Å
i0_reciprocal	35650000.0000
total_estimate	0.7529
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	56.9 Å
skewness	0.037
kurtosis	-0.532
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	14170000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.879; Stabil: 1.000; Sysdev: 0.391; Positv: 1.000; Valcen: 0.979; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

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

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2442

SAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Cyclic peptide
formula_weight	908.6 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

XXXAX

Entity 3 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	nat
entity_count	3

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (1)

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length_a	75.478 Å
length_b	75.478 Å
length_c	231.736 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	tetragonal

resolution	2.350 Å
resolution_low	19.690 Å
r_factor	0.1742
r_work	0.1730
r_free	0.1950

fit	/app/data/saxs_computation/qd/9qdu/9qdu.fit
pddf	/app/data/pr_computation/qd/9qdu/9qdu.pr.out
profile	/app/data/saxs_computation/qd/9qdu/9qdu.dat

KEAP1 complexed to cyclic peptide 30

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)