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9r3q

The structure of Aspergillus fumigatus phosphoglucose isomerase in complex with an inhibitor

Method: X-RAY DIFFRACTION D_max: 81.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r3q
deposition_date	2025-05-05
last_revision	2026-05-13
title	The structure of Aspergillus fumigatus phosphoglucose isomerase in complex with an inhibitor
keywords	Inhibitor, PGI, Aspergillus, ISOMERASE; ISOMERASE
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	26.25 Å
rg_electron	25.26 Å
i0	59739800.00
molecular_weight	61386.0 kDa
excluded_volume	77162 Å³
envelope_volume	94507 Å³
shell_volume	31034 Å³
envelope_diameter	86.5 Å
shell_rg	32.80 Å
envelope_rg	25.56 Å
shape_rg	25.24 Å
total_rg	26.11 Å
total_atoms	4339
n_residues	557
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	81.4 Å
rg_real	26.18 Å
rg_real_error	0.68 Å
i0_real	5.9740e+07
i0_real_error	8.5320e+05
rg_reciprocal	26.21 Å
i0_reciprocal	59740000.0000
total_estimate	0.8966
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.1 Å
skewness	0.258
kurtosis	-0.456
angular_range	— – 0.3000 Å⁻¹
current_alpha	0.0000
highest_alpha	9689000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 0.982; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Glucose-6-phosphate isomerase
formula_weight	61857.7 kDa
ec_number	5.3.1.9
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4497

GPLGSMPGFSQATELGAWKELQEHHNSLGRNIVLKEYFEKDPQRFEKFSRTFANPVDNTEILFDFSKNFLTEETLALLVKLAREAGVEELRDAMFKGDPINFTEDRAVYHVALRNVTNEPMQVNGKSVVEDVNSVLEHMKEFTEQVRSGEWKGYTGKKITTIINIGIGGSDLGPVMVTEALKPYGAEDMTLHFVSNIDGSHIAEALKHSDPETTLFLIASKTFTTAETTTNANSAKKWFLESAKDEAHIAKHFVALSTNEEEVTKFGIDKKNMFGFASWVGGRYSVWSAIGLSVALYIGFDNFHQFLAGAHAMDKHFRETPLEQNIPVLGGLLSVWYSDFFGAQTHLVAPFDQYLHRFPAYLQQLSMESNGKAITRTGEYVKYTTGPILFGEPATNAQHSFFQLLHQGTKLIPSDFIMAAESHNPVEGGKHQRMLASNFLAQSEALMVGKTPEQVKTEGAPDNLVPHKTFLGNRPTTSILAQKITPSTLGALIAYYEHLTFTEGAVWNINSFDQWGVELGKVLAKKIQKELETPGAGGDHDASTSGLLLAFKKKANLA

Source

organism	Aspergillus fumigatus
ncbi_taxonomy_id	746128
host_organism	Escherichia coli

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	5-PHOSPHOARABINONIC ACID
formula_weight	246.1 kDa
src_method	nat
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	158

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6. Citations (1)

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length_a	84.651 Å
length_b	84.651 Å
length_c	232.501 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.120 Å
resolution_low	29.700 Å
r_factor	0.1737
r_work	0.1714
r_free	0.2172

fit	/app/data/saxs_computation/r3/9r3q/9r3q.fit
pddf	/app/data/pr_computation/r3/9r3q/9r3q.pr.out
profile	/app/data/saxs_computation/r3/9r3q/9r3q.dat

The structure of Aspergillus fumigatus phosphoglucose isomerase in complex with an 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