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9uv3

Single-subunit Escherichia coli nicotinamide nucleotide transhydrogenase in the presence of palmitoyl-CoA

Method: ELECTRON MICROSCOPY D_max: 104.1 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uv3
deposition_date	2025-05-09
title	Single-subunit Escherichia coli nicotinamide nucleotide transhydrogenase in the presence of palmitoyl-CoA
keywords	;Nicotinamide nucleotide transhydrogenase, Mitochondrial inner membrane, E. coli transhydrogenase, Hydride transfer, Proton motive force, NAD+, NADH, NADP+, NADPH, MEMBRANE PROTEIN ;; MEMBRANE 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	33.63 Å
rg_electron	32.71 Å
i0	207840000.00
molecular_weight	122490.0 kDa
excluded_volume	156260 Å³
envelope_volume	191710 Å³
shell_volume	47432 Å³
envelope_diameter	104.0 Å
shell_rg	40.92 Å
envelope_rg	32.39 Å
shape_rg	32.72 Å
total_rg	33.35 Å
total_atoms	8604
n_residues	1140
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	104.1 Å
rg_real	33.49 Å
rg_real_error	0.70 Å
i0_real	2.0780e+08
i0_real_error	3.2060e+06
rg_reciprocal	33.58 Å
i0_reciprocal	207900000.0000
total_estimate	0.9097
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	44.3 Å
skewness	0.105
kurtosis	-0.667
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	53000000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.956; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.953

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	NAD(P) transhydrogenase subunit alpha
formula_weight	11747.0 kDa
ec_number	7.1.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D
atom_count	8604

YALMALAIILFGWMASVAPKEFLGHFTVFALACVVGYYVVWNVSHALHTPLMSVTNAISGIIVVGALLQIGQGGWVSFLSFIAVLIASINIFGGFTVTQRMLKMFRKN

Source

organism	Escherichia coli K-12
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 2 polymer

description	NAD(P) transhydrogenase subunit beta
formula_weight	48762.7 kDa
ec_number	7.1.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,A

MSGGLVTAAYIVAAILFIFSLAGLSKHETSRQGNNFGIAGMAIALIATIFGPDTGNVGWILLAMVIGGAIGIRLAKKVEMTEMPELVAILHSFVGLAAVLVGFNSYLHHDAGMAPILVNIHLTEVFLGIFIGAVTFTGSVVAFGKLCGKISSKPLMLPNRHKMNLAALVVSFLLLIVFVRTDSVGLQVLALLIMTAIALVFGWHLVASIGGADMPVVVSMLNSYSGWAAAAAGFMLSNDLLIVTGALVGSSGAILSYIMCKAMNRSFISVIAGGFGTDGSSTGDDQEVGEHREITAEETAELLKNSHSVIITPGYGMAVAQAQYPVAEITEKLRARGINVRFGIHPVAGRLPGHMNVLLAEAKVPYDIVLEMDEINDDFADTDTVLVIGANDTVNPAAQDDPKSPIAGMPVLEVWKAQNVIVFKRSMNTGYAGVQNPLFFKENTHMLFGDAKASVDAILKAL

Source

organism	Escherichia coli K-12
ncbi_taxonomy_id	83333
host_organism	Escherichia coli

Entity 3 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE
formula_weight	790.1 kDa
src_method	syn
entity_count	1

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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	2.88 Å
resolution_method	—
num_particles	211013

fit	/app/data/saxs_computation/uv/9uv3/9uv3.fit
pddf	/app/data/pr_computation/uv/9uv3/9uv3.pr.out
profile	/app/data/saxs_computation/uv/9uv3/9uv3.dat

Single-subunit Escherichia coli nicotinamide nucleotide transhydrogenase in the presence of palmitoyl-CoA

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

EM 3D

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)