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9r1c

Keap1 - inhibitor complex - 1

Method: X-RAY DIFFRACTION D_max: 54.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r1c
deposition_date	2025-04-26
last_revision	2026-03-11
title	Keap1 - inhibitor complex - 1
keywords	Kelch-like ECH-associated protein 1, PEPTIDE BINDING PROTEIN; PEPTIDE BINDING 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	18.47 Å
rg_electron	17.52 Å
i0	35130700.00
molecular_weight	29875.0 kDa
excluded_volume	28398 Å³
envelope_volume	43803 Å³
shell_volume	20095 Å³
envelope_diameter	54.5 Å
shell_rg	24.54 Å
envelope_rg	17.74 Å
shape_rg	17.49 Å
total_rg	18.24 Å
total_atoms	2247
n_residues	286
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	54.4 Å
rg_real	18.31 Å
rg_real_error	0.20 Å
i0_real	3.5130e+07
i0_real_error	3.4530e+05
rg_reciprocal	18.34 Å
i0_reciprocal	35130000.0000
total_estimate	0.9068
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.6 Å
skewness	0.029
kurtosis	-0.547
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	12570000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Kelch-like ECH-associated protein 1
formula_weight	45854.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2698

MAMGSSHHHHHHHHSSGLVPRGSHMASMSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	;2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)amino]naphthalen-1-yl]amino]ethanoic acid ;
formula_weight	638.7 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	426

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6. Citations (1)

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length_a	126.419 Å
length_b	75.580 Å
length_c	48.680 Å
angle_alpha	90.00 °
angle_beta	106.19 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.690 Å
resolution_low	60.700 Å
r_factor	0.1680
r_work	0.1662
r_free	0.2017

fit	/app/data/saxs_computation/r1/9r1c/9r1c.fit
pddf	/app/data/pr_computation/r1/9r1c/9r1c.pr.out
profile	/app/data/saxs_computation/r1/9r1c/9r1c.dat

Keap1 - inhibitor complex - 1

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