← Back to search

9ugt

Structure of Butanol Dehydrogenase in Complex with ADP and Co

Method: X-RAY DIFFRACTION D_max: 70.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9ugt
deposition_date	2025-04-13
title	Structure of Butanol Dehydrogenase in Complex with ADP and Co
keywords	National Butanol Dehydrogenase, BIOSYNTHETIC PROTEIN; BIOSYNTHETIC PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	22.58 Å
rg_electron	21.71 Å
i0	29598700.00
molecular_weight	43221.0 kDa
excluded_volume	54641 Å³
envelope_volume	64024 Å³
shell_volume	24323 Å³
envelope_diameter	69.9 Å
shell_rg	28.65 Å
envelope_rg	21.65 Å
shape_rg	21.73 Å
total_rg	22.51 Å
total_atoms	3035
n_residues	384
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

▼

3. P(r) Analysis (GNOM)

dmax	70.5 Å
rg_real	22.49 Å
rg_real_error	0.41 Å
i0_real	2.9600e+07
i0_real_error	3.9970e+05
rg_reciprocal	22.51 Å
i0_reciprocal	29600000.0000
total_estimate	0.9058
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.221
kurtosis	-0.423
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	7134000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.993

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	NADH-dependent butanol dehydrogenase A
formula_weight	43336.1 kDa
ec_number	1.1.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3062

MDNFNYKNDTKIIFGKDNYSEIGKNIKIFSKKTPKILLHYEADGELIKKLGIYEKVISSLKEFDIEFIELGGVVPNPRLSLVYEGIKICKEENITFILAVGGASVIDSAKAISLGAVDNGDVWDFFTAKRIPQDTLGIGVVLTIPGAGSEMSESSIITDENKKQKAVCDTEVNFPKFAILNPEVCYTIPDRLMAAGIVDILSHLMERYFTKSIDTALSDSLIEATMKIVIKYGPLLMKDRKNYNYCSQIMWAATMAHNGMIACGRVADWASHRIEHEISGIYDLTHGIGMAIIFPAWMKYTKNIRPQIFEKFFKEVFNTVNIDEGINKLEEFFKSLGINLKLSDYGITEEYFSLMAEKALGNSETLGRFMQLNKQDIINILNLAK

Source

organism	Fusobacterium nucleatum
ncbi_taxonomy_id	851
host_organism	Escherichia coli

Entity 2 non-polymer

description	COBALT (II) ION
formula_weight	58.9 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	27

▶

6. Citations (1)

▶

length_a	64.426 Å
length_b	79.351 Å
length_c	212.932 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.720 Å
resolution_low	35.490 Å
r_factor	0.2056
r_work	0.2008
r_free	0.2490

fit	/app/data/saxs_computation/ug/9ugt/9ugt.fit
pddf	/app/data/pr_computation/ug/9ugt/9ugt.pr.out
profile	/app/data/saxs_computation/ug/9ugt/9ugt.dat

Structure of Butanol Dehydrogenase in Complex with ADP and Co

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