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9ulg

Drosophila melanogaster Nicotinamidase in Complex with Inhibitor CN3

Method: X-RAY DIFFRACTION D_max: 80.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ulg
deposition_date	2025-04-19
last_revision	2026-04-22
title	Drosophila melanogaster Nicotinamidase in Complex with Inhibitor CN3
keywords	Nicotinamidase, Inhibitor, 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	23.57 Å
rg_electron	22.64 Å
i0	24328700.00
molecular_weight	37089.0 kDa
excluded_volume	46084 Å³
envelope_volume	53784 Å³
shell_volume	21092 Å³
envelope_diameter	83.5 Å
shell_rg	28.39 Å
envelope_rg	22.75 Å
shape_rg	22.49 Å
total_rg	23.80 Å
total_atoms	5109
n_residues	327
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	80.1 Å
rg_real	23.71 Å
rg_real_error	0.57 Å
i0_real	2.4330e+07
i0_real_error	3.0730e+05
rg_reciprocal	23.68 Å
i0_reciprocal	24330000.0000
total_estimate	0.6290
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.499
kurtosis	-0.292
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	4076000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.774; Stabil: 1.000; Sysdev: 0.000; Positv: 1.000; Valcen: 0.864; Smooth: 0.986

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	nicotinamidase
formula_weight	40164.1 kDa
ec_number	3.5.1.19
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5144

MDSPTPPIVIEDSNGSAMDACFTAFDKDSDDRLSLAEFSIICRALFRNDKGHIYDVPPERLEQIFAVFDTNGDGFIDREEFKFCWNQWIKTIVRPVNAFLIVDVQNDFISGSLDISNCSAQQQGHEILEPINKLLDTVDFDAVFYSLDWHPSDHVSFIDNVKMRPMDESSALDSDSAKVFDTVIFAGPPPMKQRLWPRHCVQDSWGAELHKDLKVVDHGIKVYKGTNPEVDSYSVFWDNKKLSDTTLNAQLKMKGATDIYVCGLAYDVCVGATAVDALSAGYRTILIDDCCRGTDVHDIEHTKEKVNTSDGVIVHTNQVKAMAEGRDRRPELGYKLAMELKSPDSVLSQRNGFRPSY

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	FE (II) ION
formula_weight	55.8 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	[3-(cyclopropylmethyl)imidazol-4-yl]methanimine
formula_weight	149.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	35

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6. Citations (1)

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length_a	74.754 Å
length_b	70.219 Å
length_c	76.150 Å
angle_alpha	90.00 °
angle_beta	94.72 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.950 Å
resolution_low	43.541 Å
r_factor	0.2499
r_work	0.2451
r_free	0.3121

fit	/app/data/saxs_computation/ul/9ulg/9ulg.fit
pddf	/app/data/pr_computation/ul/9ulg/9ulg.pr.out
profile	/app/data/saxs_computation/ul/9ulg/9ulg.dat