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9x2u

GSK3beta complexed with BiS-2

Method: X-RAY DIFFRACTION D_max: 92.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9x2u
deposition_date	2025-10-08
title	GSK3beta complexed with BiS-2
keywords	kinase, cyclic peptide, TRANSFERASE; TRANSFERASE
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	28.00 Å
rg_electron	27.25 Å
i0	204751000.00
molecular_weight	76904.0 kDa
excluded_volume	74839 Å³
envelope_volume	127560 Å³
shell_volume	38186 Å³
envelope_diameter	94.7 Å
shell_rg	35.36 Å
envelope_rg	27.24 Å
shape_rg	27.24 Å
total_rg	27.84 Å
total_atoms	5845
n_residues	713
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	92.5 Å
rg_real	27.90 Å
rg_real_error	0.52 Å
i0_real	2.0480e+08
i0_real_error	2.8270e+06
rg_reciprocal	27.93 Å
i0_reciprocal	204800000.0000
total_estimate	0.8852
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	90.9 Å
skewness	0.295
kurtosis	-0.343
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	52780000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.840; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.981

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Glycogen synthase kinase-3 beta
formula_weight	40732.8 kDa
ec_number	2.7.11.26,2.7.11.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6102

GPKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BiS-2
formula_weight	2244.5 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

YREFRFFYSVYADPC

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MALONATE ION
formula_weight	102.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	245

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6. Citations (1)

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length_a	89.310 Å
length_b	92.830 Å
length_c	121.530 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 2 21
int_tables_number	18
crystal_system	orthorhombic

resolution	2.070 Å
resolution_low	46.420 Å
r_factor	0.1980
r_work	0.1968
r_free	0.2334

fit	/app/data/saxs_computation/x2/9x2u/9x2u.fit
pddf	/app/data/pr_computation/x2/9x2u/9x2u.pr.out
profile	/app/data/saxs_computation/x2/9x2u/9x2u.dat

GSK3beta complexed with BiS-2

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)