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9x2v

GSK3beta complexed with BiS-3

Method: X-RAY DIFFRACTION D_max: 70.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9x2v
deposition_date	2025-10-08
title	GSK3beta complexed with BiS-3
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	21.99 Å
rg_electron	21.12 Å
i0	54673200.00
molecular_weight	38706.0 kDa
excluded_volume	37595 Å³
envelope_volume	62343 Å³
shell_volume	24299 Å³
envelope_diameter	73.8 Å
shell_rg	28.15 Å
envelope_rg	21.58 Å
shape_rg	21.11 Å
total_rg	21.80 Å
total_atoms	2940
n_residues	356
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	70.9 Å
rg_real	21.89 Å
rg_real_error	0.37 Å
i0_real	5.4670e+07
i0_real_error	6.6140e+05
rg_reciprocal	21.91 Å
i0_reciprocal	54670000.0000
total_estimate	0.8923
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.258
kurtosis	-0.328
angular_range	— – 0.3600 Å⁻¹
current_alpha	0.0000
highest_alpha	11220000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.985

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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	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3259

GPKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BiS-3
formula_weight	2008.2 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

XYRGSFRFFESRFCX

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
formula_weight	266.3 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	298

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6. Citations (1)

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length_a	64.350 Å
length_b	75.310 Å
length_c	85.610 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.390 Å
resolution_low	48.920 Å
r_factor	0.1795
r_work	0.1791
r_free	0.1950

fit	/app/data/saxs_computation/x2/9x2v/9x2v.fit
pddf	/app/data/pr_computation/x2/9x2v/9x2v.pr.out
profile	/app/data/saxs_computation/x2/9x2v/9x2v.dat

GSK3beta complexed with BiS-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

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)