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9pl0

The structure of the Fusobacterium nucleatum Enoyl-Acyl Carrier Protein Reductase (FabK) bound to an inhibitor

Method: X-RAY DIFFRACTION D_max: 185.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9pl0
deposition_date	2025-07-15
title	The structure of the Fusobacterium nucleatum Enoyl-Acyl Carrier Protein Reductase (FabK) bound to an inhibitor
keywords	FabK, Fusobacterium nucleatum, Enoyl-Acyl Carrier Protein Reductase, FAS-II pathway, OXIDOREDUCTASE; OXIDOREDUCTASE
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	56.57 Å
rg_electron	56.46 Å
i0	4971860000.00
molecular_weight	387650.0 kDa
excluded_volume	371910 Å³
envelope_volume	700300 Å³
shell_volume	103260 Å³
envelope_diameter	184.9 Å
shell_rg	58.49 Å
envelope_rg	55.50 Å
shape_rg	56.46 Å
total_rg	56.48 Å
total_atoms	29091
n_residues	3777
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	185.2 Å
rg_real	56.54 Å
rg_real_error	2.05 Å
i0_real	4.9720e+09
i0_real_error	1.0460e+08
rg_reciprocal	56.57 Å
i0_reciprocal	4972000000.0000
total_estimate	0.8788
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	66.1 Å
skewness	0.244
kurtosis	-0.596
angular_range	— – 0.1400 Å⁻¹
current_alpha	0.0000
highest_alpha	122500000.0000
n_real_points	29
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.932; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.624

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	Enoyl-[acyl-carrier-protein] reductase
formula_weight	36217.1 kDa
ec_number	1.3.1.9
src_method	man
entity_count	12

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,J,G,H,I,K,L
atom_count	30074

MGSSHHHHHHSSGLVPRGSHMKNNKICEILGIKYPIFQGAMAWVSGGELAGAVSKDGGLGIIAGGGMEPELLRENIRKAKAITTNPFGVNLMLLRPDVEDQMNVCIEEGVKVITTGAGNPGAFMEKLKAANIKVIPVIPTVKLAERMEKIGADAVIVEGMESGGHVGTLTTMALLPQVVNAVNIPVIAAGGIASGKQFLAALAMGAEGIQCGTIFLTAKECLIHQNYKNIILKAKDRSTTVTGTSTGHPVRVIENKLAKEMIELERSGAPKEEIEKLGTGSLRLAVIDGDVERGSFMSGQVAAMVNDERTTKEILEFLMNDLKLETEVLKRRLENWDI

Source

organism	Fusobacterium nucleatum
ncbi_taxonomy_id	851
host_organism	Escherichia coli

Entity 2 non-polymer

description	FLAVIN MONONUCLEOTIDE
formula_weight	456.3 kDa
src_method	syn
entity_count	12

Entity 3 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	24

Entity 4 non-polymer

description	N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
formula_weight	496.3 kDa
src_method	syn
entity_count	12

Entity 5 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	13

Entity 6 non-polymer

description	;O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500) ;
formula_weight	597.8 kDa
src_method	syn
entity_count	16

Entity 7 non-polymer

description	CITRIC ACID
formula_weight	192.1 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	888

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6. Citations (1)

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length_a	52.272 Å
length_b	194.081 Å
length_c	166.818 Å
angle_alpha	90.00 °
angle_beta	90.22 °
angle_gamma	90.00 °
z_pdb	24

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	2.250 Å
resolution_low	52.270 Å
r_factor	0.2139
r_work	0.2134
r_free	0.2536

fit	/app/data/saxs_computation/pl/9pl0/9pl0.fit
pddf	/app/data/pr_computation/pl/9pl0/9pl0.pr.out
profile	/app/data/saxs_computation/pl/9pl0/9pl0.dat