← Back to search

9r1z

Keap1 - inhibitor complex - 3

Method: X-RAY DIFFRACTION D_max: 55.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9r1z
deposition_date	2025-04-28
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

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	18.50 Å
rg_electron	17.53 Å
i0	34750800.00
molecular_weight	29699.0 kDa
excluded_volume	28238 Å³
envelope_volume	43534 Å³
shell_volume	19996 Å³
envelope_diameter	55.1 Å
shell_rg	24.59 Å
envelope_rg	17.75 Å
shape_rg	17.51 Å
total_rg	18.27 Å
total_atoms	2236
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

▼

3. P(r) Analysis (GNOM)

dmax	55.1 Å
rg_real	18.34 Å
rg_real_error	0.20 Å
i0_real	3.4750e+07
i0_real_error	3.6940e+05
rg_reciprocal	18.36 Å
i0_reciprocal	34750000.0000
total_estimate	0.9043
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.9 Å
skewness	0.037
kurtosis	-0.534
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	11930000.0000
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: 0.986

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

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	2755

GRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 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	2

Entity 3 non-polymer

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

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	441

▶

6. Citations (1)

▶

length_a	126.340 Å
length_b	75.461 Å
length_c	48.630 Å
angle_alpha	90.00 °
angle_beta	106.36 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	1.500 Å
resolution_low	32.780 Å
r_factor	0.1722
r_work	0.1712
r_free	0.1911

fit	/app/data/saxs_computation/r1/9r1z/9r1z.fit
pddf	/app/data/pr_computation/r1/9r1z/9r1z.pr.out
profile	/app/data/saxs_computation/r1/9r1z/9r1z.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