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9r1i

Keap1 - inhibitor complex - 3

Method: X-RAY DIFFRACTION D_max: 55.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r1i
deposition_date	2025-04-27
last_revision	2026-03-11
title	Keap1 - inhibitor complex - 3
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	18.49 Å
rg_electron	17.56 Å
i0	34226700.00
molecular_weight	29523.0 kDa
excluded_volume	28101 Å³
envelope_volume	43290 Å³
shell_volume	19908 Å³
envelope_diameter	55.4 Å
shell_rg	24.56 Å
envelope_rg	17.70 Å
shape_rg	17.53 Å
total_rg	18.29 Å
total_atoms	2223
n_residues	285
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	55.0 Å
rg_real	18.34 Å
rg_real_error	0.20 Å
i0_real	3.4230e+07
i0_real_error	3.4370e+05
rg_reciprocal	18.36 Å
i0_reciprocal	34230000.0000
total_estimate	0.9052
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.9 Å
skewness	0.028
kurtosis	-0.548
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	11150000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Kelch-like ECH-associated protein 1
formula_weight	31257.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2326

GRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;4-methoxy-~{N}-[4-[(4-methoxyphenyl)sulfonyl-(1,2,3,4-tetrazolidin-5-ylmethyl)amino]naphthalen-1-yl]-~{N}-(1,2,3,4-tetrazolidin-5-ylmethyl)benzenesulfonamide ;
formula_weight	670.8 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

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6. Citations (1)

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length_a	126.420 Å
length_b	75.540 Å
length_c	48.900 Å
angle_alpha	90.00 °
angle_beta	105.98 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.530 Å
resolution_low	47.010 Å
r_factor	0.1850
r_work	0.1829
r_free	0.2255

fit	/app/data/saxs_computation/r1/9r1i/9r1i.fit
pddf	/app/data/pr_computation/r1/9r1i/9r1i.pr.out
profile	/app/data/saxs_computation/r1/9r1i/9r1i.dat

Keap1 - inhibitor complex - 3

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