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9ulh

Drosophila melanogaster Nicotinamidase in Complex with Inhibitor AAM

Method: X-RAY DIFFRACTION D_max: 81.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ulh
deposition_date	2025-04-19
last_revision	2026-04-22
title	Drosophila melanogaster Nicotinamidase in Complex with Inhibitor AAM
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	23.51 Å
rg_electron	22.58 Å
i0	24405500.00
molecular_weight	37133.0 kDa
excluded_volume	46098 Å³
envelope_volume	53813 Å³
shell_volume	21086 Å³
envelope_diameter	83.2 Å
shell_rg	28.42 Å
envelope_rg	22.77 Å
shape_rg	22.44 Å
total_rg	23.74 Å
total_atoms	5108
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	81.7 Å
rg_real	23.65 Å
rg_real_error	0.92 Å
i0_real	2.4410e+07
i0_real_error	3.5770e+05
rg_reciprocal	23.62 Å
i0_reciprocal	24410000.0000
total_estimate	0.8449
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.500
kurtosis	-0.292
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	4249000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.725; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.846; Smooth: 0.961

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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	5168

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	4-(trifluoromethyl)pyridine-3-carboxamide
formula_weight	190.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	60

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6. Citations (1)

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length_a	74.930 Å
length_b	70.466 Å
length_c	76.141 Å
angle_alpha	90.00 °
angle_beta	94.58 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.561 Å
resolution_low	43.600 Å
r_factor	0.2272
r_work	0.2260
r_free	0.2589

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