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9yk0

cryoEM structure of Aspergillus fumigatus acetolactate synthase (ALS) in complex with a novel inhibitor

Method: ELECTRON MICROSCOPY D_max: 112.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9yk0
deposition_date	2025-10-06
title	cryoEM structure of Aspergillus fumigatus acetolactate synthase (ALS) in complex with a novel inhibitor
keywords	antifungal target, herbicide target, anti fugal infection, natural product, PLANT PROTEIN; PLANT PROTEIN
method	ELECTRON MICROSCOPY

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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	32.10 Å
rg_electron	31.73 Å
i0	504919000.00
molecular_weight	120290.0 kDa
excluded_volume	115810 Å³
envelope_volume	191760 Å³
shell_volume	49210 Å³
envelope_diameter	117.9 Å
shell_rg	39.68 Å
envelope_rg	32.06 Å
shape_rg	31.78 Å
total_rg	32.07 Å
total_atoms	9092
n_residues	1154
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	112.1 Å
rg_real	32.13 Å
rg_real_error	0.91 Å
i0_real	5.0490e+08
i0_real_error	8.1640e+06
rg_reciprocal	32.12 Å
i0_reciprocal	504900000.0000
total_estimate	0.8565
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.9 Å
skewness	0.443
kurtosis	-0.128
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	313100000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.721; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Acetolactate synthase
formula_weight	70307.8 kDa
ec_number	2.2.1.6
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9092

SPAFNQEPHRNEVSPLQNRHLPELDDSTSLITVMSRFVGLSGGQIFHEMMLRLGVKHIFGYPGGAILPVFDAIYNSKHFDFVLPRHEQGAGHMAEGYARASGKPGVVLVTSGPGATNVITPMQDALSDGTPMVVFCGQVPTSSIGTDSFQEADVVGISRACTKWNVMVKSVAELPRRIQEAFEIATSGRPGPVLVDLPKDITAGILRKPIPMNSTIPSLPSAATMAARELSMKQLESSIDRVARLVNIAQKPVLYVGQGLLARPDGPKVLKELADKACIPVTTTLQGLGGFDELDPKALHMLGMHGSAYANMAMQEADLIIAVGARFDDRVTGNLSKFAPQAKLAASEKRGGIVHFEIMPKNINKVVQANEAVEGDCAENIRLLLPHVKPVSERPEWFAQINDWKARFPFSLYEKQSPEGPIKPQALIEKLSDLTAPIKDRTIITTGVGQHQMWAAQHFRWRHPRTMITSGGLGTMGYGLPAAIGAKVARPDCLVIDIDGDASFNMTLTELTTAAQFNIGVKVLLLNNEEQGMVTQWQNLFYEDRYSHTHQKNPDFVPMARSMGVAAERCTKPSEVEEKLKWLIESDGPALLEVFTDRKVPVLPMVPAGSALHEFLVYDEAKEKERKALLRSRTAPEYLHK

Source

organism	Aspergillus fumigatus
ncbi_taxonomy_id	746128
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	THIAMINE DIPHOSPHATE
formula_weight	425.3 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	;(1R,2R,4aR,8R,8aR)-8-[(3S,5R)-5-(3-hydroxypropyl)-2,4-dioxopyrrolidin-3-yl]-3,8-dimethyl-2-propyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde ;
formula_weight	389.5 kDa
src_method	syn
entity_count	2

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.360 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	2.36 Å
resolution_method	—
num_particles	125472

fit	/app/data/saxs_computation/yk/9yk0/9yk0.fit
pddf	/app/data/pr_computation/yk/9yk0/9yk0.pr.out
profile	/app/data/saxs_computation/yk/9yk0/9yk0.dat