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9qbt

KEAP1 complexed to cyclic peptide 34

Method: X-RAY DIFFRACTION D_max: 55.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qbt
deposition_date	2025-03-03
title	KEAP1 complexed to cyclic peptide 34
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	18.74 Å
rg_electron	17.49 Å
i0	19614300.00
molecular_weight	32175.0 kDa
excluded_volume	39499 Å³
envelope_volume	43868 Å³
shell_volume	20167 Å³
envelope_diameter	55.4 Å
shell_rg	24.59 Å
envelope_rg	17.72 Å
shape_rg	17.43 Å
total_rg	18.56 Å
total_atoms	4382
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	55.8 Å
rg_real	18.58 Å
rg_real_error	0.24 Å
i0_real	1.9610e+07
i0_real_error	2.1140e+05
rg_reciprocal	18.60 Å
i0_reciprocal	19610000.0000
total_estimate	0.9021
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.4 Å
skewness	0.030
kurtosis	-0.534
angular_range	— – 0.4250 Å⁻¹
current_alpha	0.0000
highest_alpha	7716000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.968

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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	4443

SAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Cyclic peptide
formula_weight	902.5 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

XXNAX

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	60

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6. Citations (1)

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length_a	119.778 Å
length_b	119.778 Å
length_c	167.235 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3 2
int_tables_number	155
crystal_system	trigonal

resolution	2.334 Å
resolution_low	19.470 Å
r_factor	0.1733
r_work	0.1716
r_free	0.2083

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

KEAP1 complexed to cyclic peptide 34

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)