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9ug4

Crystal structure of human galectin-3 in complex with N-galactoside 5

Method: X-RAY DIFFRACTION D_max: 50.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ug4
deposition_date	2025-04-11
last_revision	2026-04-15
title	Crystal structure of human galectin-3 in complex with N-galactoside 5
keywords	Carbohydrate recognition domain, SUGAR BINDING PROTEIN; SUGAR BINDING 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	15.28 Å
rg_electron	14.07 Å
i0	8891690.00
molecular_weight	14620.0 kDa
excluded_volume	14066 Å³
envelope_volume	21371 Å³
shell_volume	12833 Å³
envelope_diameter	46.5 Å
shell_rg	19.95 Å
envelope_rg	14.32 Å
shape_rg	14.01 Å
total_rg	15.03 Å
total_atoms	1107
n_residues	133
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	50.6 Å
rg_real	15.17 Å
rg_real_error	0.29 Å
i0_real	8.8920e+06
i0_real_error	1.0080e+05
rg_reciprocal	15.18 Å
i0_reciprocal	8892000.0000
total_estimate	0.7996
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	19.2 Å
skewness	0.139
kurtosis	-0.386
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	1436000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.797; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Galectin-3
formula_weight	15392.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1300

GPGYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[[3-[bis(oxidanyl)amino]phenyl]methoxy-methyl-amino]-6-(hydroxymethyl)-4-[5-[3,4,5-tris(fluoranyl)phenyl]-1,2-dihydro-1,2,3-triazol-3-yl]oxane-3,5-diol ;
formula_weight	529.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	193

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6. Citations (1)

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length_a	74.191 Å
length_b	74.191 Å
length_c	51.271 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 4
int_tables_number	79
crystal_system	tetragonal

resolution	1.050 Å
resolution_low	37.100 Å
r_factor	0.1700
r_work	0.1696
r_free	0.1770

fit	/app/data/saxs_computation/ug/9ug4/9ug4.fit
pddf	/app/data/pr_computation/ug/9ug4/9ug4.pr.out
profile	/app/data/saxs_computation/ug/9ug4/9ug4.dat

Crystal structure of human galectin-3 in complex with N-galactoside 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