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9ud4

Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-T236Y mutant from Vibrio cholerae reduced by NADH

Method: ELECTRON MICROSCOPY D_max: 145.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ud4
deposition_date	2025-04-06
last_revision	2025-06-25
title	Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-T236Y mutant from Vibrio cholerae reduced by NADH
keywords	Na+-NQR, Na+ pump, oxidoreductase, 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	43.78 Å
rg_electron	43.10 Å
i0	590425000.00
molecular_weight	209330.0 kDa
excluded_volume	265780 Å³
envelope_volume	364050 Å³
shell_volume	70085 Å³
envelope_diameter	144.5 Å
shell_rg	48.56 Å
envelope_rg	42.25 Å
shape_rg	43.14 Å
total_rg	43.21 Å
total_atoms	14715
n_residues	1894
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	145.4 Å
rg_real	43.74 Å
rg_real_error	1.24 Å
i0_real	5.9040e+08
i0_real_error	1.1520e+07
rg_reciprocal	43.78 Å
i0_reciprocal	590500000.0000
total_estimate	0.8936
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	52.5 Å
skewness	0.263
kurtosis	-0.504
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	98770000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.904

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4. Crystallography & Experiment

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5. Entities & Polymer Info (13)

Entity 1 polymer

description	Na(+)-translocating NADH-quinone reductase subunit A
formula_weight	48680.7 kDa
ec_number	7.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	14720

MITIKKGLDLPIAGTPSQVISDGKAIKKVALLGEEYVGMRPTMHVRVGDEVKKAQILFEDKKNPGVKFTSPVSGKVVEINRGAKRVLQSVVIEVAGDDQVTFDKFEANQLASLNRDAIKTQLVESGLWTAFRTRPFSKVPAIDSTSEAIFVTAMDTNPLAAEPTVVINEQSEAFVAGLDVLSALTTGKVYVCKKGTSLPRSQQPNVEEHVFDGPHPAGLAGTHMHFLYPVSADHVAWSINYQDVIAVGQLFLTGELYTQRVVSLAGPVVNKPRLVRTVMGASLEQLVDSEIMPGEVRIISGSVLSGTKATGPHAYLGRYHLQVSVLREGRDKELFGWAMPGKNKFSVTRSFLGHLFKGQVYNMTTTTNGSDRSMVPIGNYEKVMPLDMEPTLLLRDLCAGDSDSAVRLGALELDEEDLALCTFVCPGKYEYGQLLRECLDKIEKEG

Source

organism	Vibrio cholerae O395
ncbi_taxonomy_id	345073
host_organism	Vibrio cholerae

Entity 2 polymer

description	Na(+)-translocating NADH-quinone reductase subunit B
formula_weight	45452.9 kDa
ec_number	7.2.1.1
mutation	T236Y
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MGLKKFLEDIEHHFEPGGKHEKWFALYEAAATLFYTPGLVTKRSSHVRDSVDLKRIMIMVWLAVFPAMFWGMYNAGGQAIAALNHLYSGDQLAAIVAGNWHYWLTEMLGGTMSSDAGWGSKMLLGATYFLPIYATVFIVGGFWEVLFCMVRKHEVNEGFFVTSILFALIVPPTLPLWQAALGITFGVVVAKEVFGGTGRNFLNPALAGRAFLFFAYPAQISGDLVWTAADGYSGAYALSQWAQGGAGALINNATGQTITWMDAFIGNIPGSIGEVSTLALMIGAAFIVYMGIASWRIIGGVMIGMILLSTLFNVIGSDTNAMFNMPWHWHLVLGGFAFGMFFMATDPVSASFTNSGKWAYGILIGVMCVLIRVVNPAYPEGMMLAILFANLFAPLFDHVVVERNIKRRLARYGKQ

Source

organism	Vibrio cholerae O395
ncbi_taxonomy_id	345073
host_organism	Vibrio cholerae

Entity 3 polymer

description	Na(+)-translocating NADH-quinone reductase subunit C
formula_weight	27652.3 kDa
ec_number	7.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

MASNNDSIKKTLFVVIALSLVCSIIVSAAAVGLRDKQKENAALDKQSKILQVAGIEAKGSKQIVELFNKSIEPRLVDFNTGDFVEGDAANYDQRKAAKEASESIKLTAEQDKAKIQRRANVGVVYLVKDGDKTSKVILPVHGNGLWSMMYAFVAVETDGNTVSGLTYYEQGETPGLGGEVENPAWRAQWVGKKLFDENHKPAIKIVKGGAPQGSEHGVDGLSGATLTSNGVQNTFDFWLGDMGFGPFLTKVRDGGLN

Source

organism	Vibrio cholerae O395
ncbi_taxonomy_id	345073
host_organism	Vibrio cholerae

Entity 4 polymer

description	Na(+)-translocating NADH-quinone reductase subunit D
formula_weight	22853.2 kDa
ec_number	7.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	D

MSSAKELKKSVLAPVLDNNPIALQVLGVCSALAVTTKLETAFVMTLAVMFVTALSNFFVSLIRNHIPNSVRIIVQMAIIASLVIVVDQILKAYLYDISKQLSVFVGLIITNCIVMGRAEAFAMKSEPIPSFIDGIGNGLGYGFVLMTVGFFRELLGSGKLFGLEVLPLISNGGWYQPNGLMLLAPSAFFLIGFMIWAIRTFKPEQVEAKE

Source

organism	Vibrio cholerae O395
ncbi_taxonomy_id	345073
host_organism	Vibrio cholerae

Entity 5 polymer

description	Na(+)-translocating NADH-quinone reductase subunit E
formula_weight	21481.7 kDa
ec_number	7.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E

MEHYISLLVKSIFIENMALSFFLGMCTFLAVSKKVKTSFGLGIAVIVVLTISVPVNNLVYNLVLKPDALVEGVDLSFLNFITFIGVIAALVQILEMILDRFFPPLYNALGIFLPLITVNCAIFGGVSFMVQRDYSFAESVVYGFGSGVGWMLAIVALAGIREKMKYSDVPPGLRGLGITFITAGLMALGFMSFSGVQL

Source

organism	Vibrio cholerae O395
ncbi_taxonomy_id	345073
host_organism	Vibrio cholerae

Entity 6 polymer

description	Na(+)-translocating NADH-quinone reductase subunit F
formula_weight	45942.4 kDa
ec_number	7.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	F

MSTIIFGVVMFTLIILALVLVILFAKSKLVPTGDITISINGDPEKAIVTQPGGKLLTALAGAGVFVSSACGGGGSCGQCRVKIKSGGGDILPTELDHISKGEAREGERLACQVAVKADMDLELPEEIFGVKKWECTVISNDNKATFIKELKLAIPDGESVPFRAGGYIQIEAPAHHVKYADFDVPEKYRGDWDKFNLFRYESKVDEPIIRAYSMANYPEEFGIIMLNVRIATPPPNNPNVPPGQMSSYIWSLKAGDKCTISGPFGEFFAKDTDAEMVFIGGGAGMAPMRSHIFDQLKRLKSKRKMSYWYGARSKREMFYVEDFDGLAAENDNFVWHCALSDPQPEDNWTGYTGFIHNVLYENYLKDHEAPEDCEYYMCGPPMMNAAVINMLKNLGVEEENILLDDFGGHHHHHH

Source

organism	Vibrio cholerae O395
ncbi_taxonomy_id	345073
host_organism	Vibrio cholerae

Entity 7 non-polymer

description	RIBOFLAVIN
formula_weight	376.4 kDa
src_method	syn
entity_count	1

Entity 8 non-polymer

description	DODECYL-BETA-D-MALTOSIDE
formula_weight	510.6 kDa
src_method	syn
entity_count	2

Entity 9 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 10 non-polymer

description	FLAVIN MONONUCLEOTIDE
formula_weight	456.3 kDa
src_method	syn
entity_count	1

Entity 11 non-polymer

description	FE2/S2 (INORGANIC) CLUSTER
formula_weight	175.8 kDa
src_method	syn
entity_count	2

Entity 12 non-polymer

description	FLAVIN-ADENINE DINUCLEOTIDE
formula_weight	785.5 kDa
src_method	nat
entity_count	1

Entity 13 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	5

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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	3.310 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	3.31 Å
resolution_method	—
num_particles	319845

fit	/app/data/saxs_computation/ud/9ud4/9ud4.fit
pddf	/app/data/pr_computation/ud/9ud4/9ud4.pr.out
profile	/app/data/saxs_computation/ud/9ud4/9ud4.dat

Cryo-EM structure of Na+-translocating NADH-ubiquinone oxidoreductase NqrB-T236Y mutant from Vibrio cholerae reduced by NADH

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

EM 3D

5. Entities & Polymer Info (13)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 polymer

Polymer

Source

Entity 6 polymer

Polymer

Source

Entity 7 non-polymer

Entity 8 non-polymer

Entity 9 non-polymer

Entity 10 non-polymer

Entity 11 non-polymer

Entity 12 non-polymer

Entity 13 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)