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9x2q

GSK3beta complexed with BiS-1

Method: X-RAY DIFFRACTION D_max: 90.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9x2q
deposition_date	2025-10-07
title	GSK3beta complexed with BiS-1
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	28.10 Å
rg_electron	27.33 Å
i0	202631000.00
molecular_weight	76565.0 kDa
excluded_volume	74485 Å³
envelope_volume	126400 Å³
shell_volume	37710 Å³
envelope_diameter	95.8 Å
shell_rg	35.48 Å
envelope_rg	27.33 Å
shape_rg	27.32 Å
total_rg	27.90 Å
total_atoms	5820
n_residues	707
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	90.7 Å
rg_real	28.01 Å
rg_real_error	0.57 Å
i0_real	2.0260e+08
i0_real_error	3.1640e+06
rg_reciprocal	28.04 Å
i0_reciprocal	202600000.0000
total_estimate	0.6409
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	34.0 Å
skewness	0.297
kurtosis	-0.334
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	47460000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.868; Stabil: 0.999; Sysdev: 0.242; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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	6385

GPKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BiS-1
formula_weight	2434.7 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

YRSADFRFFYSRYSLAC

Entity 3 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	PROLINE
formula_weight	115.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	491

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6. Citations (1)

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length_a	88.740 Å
length_b	92.170 Å
length_c	119.560 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	1.680 Å
resolution_low	49.580 Å
r_factor	0.1736
r_work	0.1731
r_free	0.2023

fit	/app/data/saxs_computation/x2/9x2q/9x2q.fit
pddf	/app/data/pr_computation/x2/9x2q/9x2q.pr.out
profile	/app/data/saxs_computation/x2/9x2q/9x2q.dat

GSK3beta complexed with BiS-1

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)