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9x2x

GSK3beta complexed with BiS-5

Method: X-RAY DIFFRACTION D_max: 89.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9x2x
deposition_date	2025-10-08
title	GSK3beta complexed with BiS-5
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	27.96 Å
rg_electron	27.18 Å
i0	207240000.00
molecular_weight	77348.0 kDa
excluded_volume	75237 Å³
envelope_volume	127770 Å³
shell_volume	38237 Å³
envelope_diameter	94.4 Å
shell_rg	35.34 Å
envelope_rg	27.20 Å
shape_rg	27.17 Å
total_rg	27.76 Å
total_atoms	5876
n_residues	714
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	89.4 Å
rg_real	27.86 Å
rg_real_error	0.54 Å
i0_real	2.0720e+08
i0_real_error	2.6990e+06
rg_reciprocal	27.90 Å
i0_reciprocal	207200000.0000
total_estimate	0.8925
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.9 Å
skewness	0.286
kurtosis	-0.345
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	46490000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.885; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.944

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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,C
atom_count	6346

GPKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BiS-5
formula_weight	2000.2 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

XYDFRFFYSRYGACX

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	438

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6. Citations (1)

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length_a	88.710 Å
length_b	91.740 Å
length_c	119.350 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	—

resolution	1.790 Å
resolution_low	49.510 Å
r_factor	0.1781
r_work	0.1775
r_free	0.2072

fit	/app/data/saxs_computation/x2/9x2x/9x2x.fit
pddf	/app/data/pr_computation/x2/9x2x/9x2x.pr.out
profile	/app/data/saxs_computation/x2/9x2x/9x2x.dat

GSK3beta complexed with BiS-5

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)