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9xv1

Crystal Structure of Fructose-1,6-bisphosphatase Complexed with a Covalent Inhibitor

Method: X-RAY DIFFRACTION D_max: 108.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9xv1
deposition_date	2025-11-25
last_revision	2025-12-24
title	Crystal Structure of Fructose-1,6-bisphosphatase Complexed with a Covalent Inhibitor
keywords	inhibitor complex, HYDROLASE; HYDROLASE
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	34.04 Å
rg_electron	33.52 Å
i0	586739000.00
molecular_weight	131660.0 kDa
excluded_volume	127620 Å³
envelope_volume	213360 Å³
shell_volume	51708 Å³
envelope_diameter	116.7 Å
shell_rg	41.49 Å
envelope_rg	33.68 Å
shape_rg	33.54 Å
total_rg	33.87 Å
total_atoms	9946
n_residues	1284
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	108.2 Å
rg_real	33.98 Å
rg_real_error	0.78 Å
i0_real	5.8670e+08
i0_real_error	9.8060e+06
rg_reciprocal	34.02 Å
i0_reciprocal	586800000.0000
total_estimate	0.8931
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	39.1 Å
skewness	0.289
kurtosis	-0.408
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	234500000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.922; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.845

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Fructose-1,6-bisphosphatase 1
formula_weight	36660.2 kDa
ec_number	3.1.3.11
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	10768

MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVRKAGIAHLYGIAGSTNVTGDQVKKLDVLSNDLVMNMLKSSFATCVLVSEEDKHAIIVEPEKRGKYVVCFDPLDGSSNIDCLVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMDCGVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKDFDPAVTEYIQRKKFPPDNSAPYGARYVGSMVADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTGKEAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	2-bromanyl-~{N}-[2-[4-[(3-phenylphenyl)carbamoylsulfamoyl]phenyl]ethyl]ethanamide
formula_weight	516.4 kDa
src_method	syn
entity_count	4

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	822

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6. Citations (1)

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length_a	67.672 Å
length_b	83.261 Å
length_c	279.635 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.960 Å
resolution_low	48.620 Å
r_factor	0.1857
r_work	0.1852
r_free	0.2130

fit	/app/data/saxs_computation/xv/9xv1/9xv1.fit
pddf	/app/data/pr_computation/xv/9xv1/9xv1.pr.out
profile	/app/data/saxs_computation/xv/9xv1/9xv1.dat

Crystal Structure of Fructose-1,6-bisphosphatase Complexed with a Covalent Inhibitor

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