8acw

X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution

Method: X-RAY DIFFRACTION

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Na(+)-translocating NADH-quinone reductase subunit A

Vibrio cholerae

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Na(+)-translocating NADH-quinone reductase subunit B × 1 （A0A085SSI3） Na(+)-translocating NADH-quinone reductase subunit C × 1 （A0A085R7S2） Na(+)-translocating NADH-quinone reductase subunit D × 1 （A0A085RHY8） Na(+)-translocating NADH-quinone reductase subunit E × 1 （A0A085QWM0） Na(+)-translocating NADH-quinone reductase subunit F × 1 （A0A085ST13） FLAVIN MONONUCLEOTIDE × 2 RIBOFLAVIN × 1 DODECYL-BETA-D-MALTOSIDE × 3 POTASSIUM ION × 1 LYSINE × 1 FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A655PZA5_VIBCL
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 23–468； UniProt 17–462

Na(+)-translocating NADH-quinone reductase subunit B

Vibrio cholerae

UniProt A0A085SSI3

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Na(+)-translocating NADH-quinone reductase subunit A × 1 （A0A655PZA5） Na(+)-translocating NADH-quinone reductase subunit C × 1 （A0A085R7S2） Na(+)-translocating NADH-quinone reductase subunit D × 1 （A0A085RHY8） Na(+)-translocating NADH-quinone reductase subunit E × 1 （A0A085QWM0） Na(+)-translocating NADH-quinone reductase subunit F × 1 （A0A085ST13） FLAVIN MONONUCLEOTIDE × 2 RIBOFLAVIN × 1 DODECYL-BETA-D-MALTOSIDE × 3 POTASSIUM ION × 1 LYSINE × 1 FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A085SSI3_VIBCL
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–415； UniProt 1–415

Na(+)-translocating NADH-quinone reductase subunit C

Vibrio cholerae

UniProt A0A085R7S2

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Na(+)-translocating NADH-quinone reductase subunit A × 1 （A0A655PZA5） Na(+)-translocating NADH-quinone reductase subunit B × 1 （A0A085SSI3） Na(+)-translocating NADH-quinone reductase subunit D × 1 （A0A085RHY8） Na(+)-translocating NADH-quinone reductase subunit E × 1 （A0A085QWM0） Na(+)-translocating NADH-quinone reductase subunit F × 1 （A0A085ST13） FLAVIN MONONUCLEOTIDE × 2 RIBOFLAVIN × 1 DODECYL-BETA-D-MALTOSIDE × 3 POTASSIUM ION × 1 LYSINE × 1 FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A085R7S2_VIBCL
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–257； UniProt 1–257

Na(+)-translocating NADH-quinone reductase subunit D

Vibrio cholerae

UniProt A0A085RHY8

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Na(+)-translocating NADH-quinone reductase subunit A × 1 （A0A655PZA5） Na(+)-translocating NADH-quinone reductase subunit B × 1 （A0A085SSI3） Na(+)-translocating NADH-quinone reductase subunit C × 1 （A0A085R7S2） Na(+)-translocating NADH-quinone reductase subunit E × 1 （A0A085QWM0） Na(+)-translocating NADH-quinone reductase subunit F × 1 （A0A085ST13） FLAVIN MONONUCLEOTIDE × 2 RIBOFLAVIN × 1 DODECYL-BETA-D-MALTOSIDE × 3 POTASSIUM ION × 1 LYSINE × 1 FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A085RHY8_VIBCL
Isoform	—
PDB entities	4
Chains and sequence ranges	Author chain D； PDBConstruct 1–210； UniProt 1–210

Na(+)-translocating NADH-quinone reductase subunit E

Vibrio cholerae

UniProt A0A085QWM0

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Na(+)-translocating NADH-quinone reductase subunit A × 1 （A0A655PZA5） Na(+)-translocating NADH-quinone reductase subunit B × 1 （A0A085SSI3） Na(+)-translocating NADH-quinone reductase subunit C × 1 （A0A085R7S2） Na(+)-translocating NADH-quinone reductase subunit D × 1 （A0A085RHY8） Na(+)-translocating NADH-quinone reductase subunit F × 1 （A0A085ST13） FLAVIN MONONUCLEOTIDE × 2 RIBOFLAVIN × 1 DODECYL-BETA-D-MALTOSIDE × 3 POTASSIUM ION × 1 LYSINE × 1 FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A085QWM0_VIBCL
Isoform	—
PDB entities	5
Chains and sequence ranges	Author chain E； PDBConstruct 1–198； UniProt 1–198

Na(+)-translocating NADH-quinone reductase subunit F

Vibrio cholerae

UniProt A0A085ST13

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Na(+)-translocating NADH-quinone reductase subunit A × 1 （A0A655PZA5） Na(+)-translocating NADH-quinone reductase subunit B × 1 （A0A085SSI3） Na(+)-translocating NADH-quinone reductase subunit C × 1 （A0A085R7S2） Na(+)-translocating NADH-quinone reductase subunit D × 1 （A0A085RHY8） Na(+)-translocating NADH-quinone reductase subunit E × 1 （A0A085QWM0） FLAVIN MONONUCLEOTIDE × 2 RIBOFLAVIN × 1 DODECYL-BETA-D-MALTOSIDE × 3 POTASSIUM ION × 1 LYSINE × 1 FE2/S2 (INORGANIC) CLUSTER × 2 FLAVIN-ADENINE DINUCLEOTIDE × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A085ST13_VIBCL
Isoform	—
PDB entities	6
Chains and sequence ranges	Author chain F； PDBConstruct 1–408； UniProt 1–408

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	8acw
Deposition date deposition_date	2022-07-07
Structure title title	X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution
Keywords keywords	respiratory complex, NADH ubiquinone oxido reducatase, Na+ pump, MEMBRANE PROTEIN; MEMBRANE PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

8acw__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

8acw__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

8acw__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	42.70 Å
Rg (electron density)	42.02 Å
Total Rg	42.12 Å
Atom count	28730
Residues	1833
Excluded volume	258630 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`8acw__assembly_1__model_1`	hexameric （6）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (13)

Entity 1 Entity 1 polymer

Description description	Na(+)-translocating NADH-quinone reductase subunit A
Molecular weight formula_weight	51125.4 kDa
EC 编号 ec_number	7.2.1.1
Mutation mutation	N-terminal His tag
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	28730

MGSSHHHHHHSSGLEVLFQGPHMITIKKGLDLPIAGTPSQVISDGKAIKKVALLGEEYVGMRPTMHVRVGDEVKKAQILFEDKKNPGVKFTSPVSGKVVEINRGAKRVLQSVVIEVAGDDQVTFDKFEANQLASLNRDAIKTQLVESGLWTAFRTRPFSKVPAIDSTSEAIFVTAMDTNPLAAEPTVVINEQSEAFVAGLDVLSALTTGKVYVCKKGTSLPRSQQPNVEEHVFDGPHPAGLAGTHMHFLYPVSADHVAWSINYQDVIAVGQLFLTGELYTQRVVSLAGPVVNKPRLVRTVMGASLEQLVDSEIMPGEVRIISGSVLSGTKATGPHAYLGRYHLQVSVLREGRDKELFGWAMPGKNKFSVTRSFLGHLFKGQVYNMTTTTNGSDRSMVPIGNYEKVMPLDMEPTLLLRDLCAGDSDSAVRLGALELDEEDLALCTFVCPGKYEYGQLLRECLDKIEKEG

Source Source

Source organism organism	Vibrio cholerae
NCBI taxonomy ID ncbi_taxonomy_id	666
Host organism host_organism	Vibrio cholerae

Entity 2 Entity 2 polymer

Description description	Na(+)-translocating NADH-quinone reductase subunit B
Molecular weight formula_weight	45390.9 kDa
EC 编号 ec_number	7.2.1.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MGLKKFLEDIEHHFEPGGKHEKWFALYEAAATLFYTPGLVTKRSSHVRDSVDLKRIMIMVWLAVFPAMFWGMYNAGGQAIAALNHLYSGDQLAAIVAGNWHYWLTEMLGGTMSSDAGWGSKMLLGATYFLPIYATVFIVGGFWEVLFCMVRKHEVNEGFFVTSILFALIVPPTLPLWQAALGITFGVVVAKEVFGGTGRNFLNPALAGRAFLFFAYPAQISGDLVWTAADGYSGATALSQWAQGGAGALINNATGQTITWMDAFIGNIPGSIGEVSTLALMIGAAFIVYMGIASWRIIGGVMIGMILLSTLFNVIGSDTNAMFNMPWHWHLVLGGFAFGMFFMATDPVSASFTNSGKWAYGILIGVMCVLIRVVNPAYPEGMMLAILFANLFAPLFDHVVVERNIKRRLARYGKQ

Source Source

Source organism organism	Vibrio cholerae
NCBI taxonomy ID ncbi_taxonomy_id	666
Host organism host_organism	Vibrio cholerae

Entity 3 Entity 3 polymer

Description description	Na(+)-translocating NADH-quinone reductase subunit C
Molecular weight formula_weight	27652.3 kDa
EC 编号 ec_number	7.2.1.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

MASNNDSIKKTLFVVIALSLVCSIIVSAAAVGLRDKQKENAALDKQSKILQVAGIEAKGSKQIVELFNKSIEPRLVDFNTGDFVEGDAANYDQRKAAKEASESIKLTAEQDKAKIQRRANVGVVYLVKDGDKTSKVILPVHGNGLWSMMYAFVAVETDGNTVSGLTYYEQGETPGLGGEVENPAWRAQWVGKKLFDENHKPAIKIVKGGAPQGSEHGVDGLSGATLTSNGVQNTFDFWLGDMGFGPFLTKVRDGGLN

Source Source

Source organism organism	Vibrio cholerae
NCBI taxonomy ID ncbi_taxonomy_id	666
Host organism host_organism	Vibrio cholerae

Entity 4 Entity 4 polymer

Description description	Na(+)-translocating NADH-quinone reductase subunit D
Molecular weight formula_weight	22853.2 kDa
EC 编号 ec_number	7.2.1.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D

MSSAKELKKSVLAPVLDNNPIALQVLGVCSALAVTTKLETAFVMTLAVMFVTALSNFFVSLIRNHIPNSVRIIVQMAIIASLVIVVDQILKAYLYDISKQLSVFVGLIITNCIVMGRAEAFAMKSEPIPSFIDGIGNGLGYGFVLMTVGFFRELLGSGKLFGLEVLPLISNGGWYQPNGLMLLAPSAFFLIGFMIWAIRTFKPEQVEAKE

Source Source

Source organism organism	Vibrio cholerae
NCBI taxonomy ID ncbi_taxonomy_id	666
Host organism host_organism	Vibrio cholerae

Entity 5 Entity 5 polymer

Description description	Na(+)-translocating NADH-quinone reductase subunit E
Molecular weight formula_weight	21481.7 kDa
EC 编号 ec_number	7.2.1.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	E

MEHYISLLVKSIFIENMALSFFLGMCTFLAVSKKVKTSFGLGIAVIVVLTISVPVNNLVYNLVLKPDALVEGVDLSFLNFITFIGVIAALVQILEMILDRFFPPLYNALGIFLPLITVNCAIFGGVSFMVQRDYSFAESVVYGFGSGVGWMLAIVALAGIREKMKYSDVPPGLRGLGITFITAGLMALGFMSFSGVQL

Source Source

Source organism organism	Vibrio cholerae
NCBI taxonomy ID ncbi_taxonomy_id	666
Host organism host_organism	Vibrio cholerae

Entity 6 Entity 6 polymer

Description description	Na(+)-translocating NADH-quinone reductase subunit F
Molecular weight formula_weight	45113.5 kDa
EC 编号 ec_number	7.2.1.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	F

MSTIIFGVVMFTLIILALVLVILFAKSKLVPTGDITISINGDPEKAIVTQPGGKLLTALAGAGVFVSSACGGGGSCGQCRVKIKSGGGDILPTELDHISKGEAREGERLACQVAVKADMDLELPEEIFGVKKWECTVISNDNKATFIKELKLAIPDGESVPFRAGGYIQIEAPAHHVKYADFDVPEKYRGDWDKFNLFRYESKVDEPIIRAYSMANYPEEFGIIMLNVRIATPPPNNPNVPPGQMSSYIWSLKAGDKCTISGPFGEFFAKDTDAEMVFIGGGAGMAPMRSHIFDQLKRLKSKRKMSYWYGARSKREMFYVEDFDGLAAENDNFVWHCALSDPQPEDNWTGYTGFIHNVLYENYLKDHEAPEDCEYYMCGPPMMNAAVINMLKNLGVEEENILLDDFGG

Source Source

Source organism organism	Vibrio cholerae
NCBI taxonomy ID ncbi_taxonomy_id	666
Host organism host_organism	Vibrio cholerae

Entity 7 Entity 7 non-polymer

Description description	FLAVIN MONONUCLEOTIDE
Molecular weight formula_weight	456.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 8 Entity 8 non-polymer

Description description	RIBOFLAVIN
Molecular weight formula_weight	376.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 9 Entity 9 non-polymer

Description description	DODECYL-BETA-D-MALTOSIDE
Molecular weight formula_weight	510.6 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 10 Entity 10 non-polymer

Description description	POTASSIUM ION
Molecular weight formula_weight	39.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 11 Entity 11 non-polymer

Description description	LYSINE
Molecular weight formula_weight	147.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 12 Entity 12 non-polymer

Description description	FE2/S2 (INORGANIC) CLUSTER
Molecular weight formula_weight	175.8 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 13 Entity 13 non-polymer

Description description	FLAVIN-ADENINE DINUCLEOTIDE
Molecular weight formula_weight	785.5 kDa
Source method src_method	syn
Copy count entity_count	1

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Unit-cell length a length_a	93.720 Å
Unit-cell length b length_b	142.940 Å
Unit-cell length c length_c	103.390 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	109.93 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	3.400 Å
Low-resolution limit resolution_low	48.600 Å
R factor r_factor	0.2722
R_work r_work	0.2704
R_free r_free	0.3061

X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution

1. Protein Identity and Related Structures Protein Identity & Related Structures

Na(+)-translocating NADH-quinone reductase subunit A

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Na(+)-translocating NADH-quinone reductase subunit B

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Na(+)-translocating NADH-quinone reductase subunit C

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Na(+)-translocating NADH-quinone reductase subunit D

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Na(+)-translocating NADH-quinone reductase subunit E

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Na(+)-translocating NADH-quinone reductase subunit F

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

8acw__assembly_1__model_1

8acw__assembly_1__model_1 | I(q)

8acw__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (13)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 polymer

Polymer Polymer

Source Source

Entity 5 Entity 5 polymer

Polymer Polymer

Source Source

Entity 6 Entity 6 polymer

Polymer Polymer

Source Source

Entity 7 Entity 7 non-polymer