4fas

Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea

Method: X-RAY DIFFRACTION

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

Hydroxylamine oxidoreductase

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	NE1300 × 3 （Q82V11） HEME C × 21 ;{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron ; × 3 DI(HYDROXYETHYL)ETHER × 17 TRIETHYLENE GLYCOL × 2 1,2-ETHANEDIOL × 15 HEXAETHYLENE GLYCOL × 1 TETRAETHYLENE GLYCOL × 1 NITRATE ION × 4 water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	HAO_NITEU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–546； UniProt 25–570 Author chain B； PDBConstruct 1–546； UniProt 25–570 Author chain C； PDBConstruct 1–546； UniProt 25–570

NE1300

OrganismNot specified

UniProt Q82V11

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	Hydroxylamine oxidoreductase × 3 （Q50925） HEME C × 21 ;{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron ; × 3 DI(HYDROXYETHYL)ETHER × 17 TRIETHYLENE GLYCOL × 2 1,2-ETHANEDIOL × 15 HEXAETHYLENE GLYCOL × 1 TETRAETHYLENE GLYCOL × 1 NITRATE ION × 4 water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q82V11_NITEU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain D； PDBConstruct 1–69； UniProt 23–91 Author chain E； PDBConstruct 1–69； UniProt 23–91 Author chain F； PDBConstruct 1–69； UniProt 23–91

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	4fas
Deposition date deposition_date	2012-05-22
Structure title title	Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea
Keywords keywords	Hydroxylamine oxidation, Heme c binding, OXIDOREDUCTASE; OXIDOREDUCTASE
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.

4fas__assembly_1__model_1

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

Download this curve (.dat)

4fas__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4fas__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	34.72 Å
Rg (electron density)	33.94 Å
Total Rg	34.67 Å
Atom count	14404
Residues	1653
Excluded volume	255070 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4fas__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 (11)

Entity 1 Entity 1 polymer

Description description	Hydroxylamine oxidoreductase
Molecular weight formula_weight	61720.5 kDa
EC 编号 ec_number	1.7.3.4
Source method src_method	nat
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	15197

DISTVPDETYDALKLDRGKATPKETYEALVKRYKDPAHGAGKGTMGDYWEPIAISIYMDPNTFYKPPVSPKEVAERKDCVECHSDETPVWVRAWKRSTHANLDKIRNLKSDDPLYYKKGKLEEVENNLRSMGKLGEKETLKEVGCIDCHVDVNKKDKADHTKDIRMPTADTCGTCHLREFAERESERDTMVWPNGQWPAGRPSHALDYTANIETTVWAAMPQREVAEGCTMCHTNQNKCDNCHTRHEFSAAESRKPEACATCHSGVDHNNWEAYTMSKHGKLAEMNRDKWNWEVRLKDAFSKGGQNAPTCAACHMEYEGEYTHNITRKTRWANYPFVPGIAENITSDWSEARLDSWVLTCTQCHSERFARSYLDLMDKGTLEGLAKYQEANAIVHKMYEDGTLTGQKTNRPNPPEPEKPGFGIFTQLFWSKGNNPASLELKVLEMAENNLAKMHVGLAHVNPGGWTYTEGWGPMNRAYVEIQDEYTKMQELSALQARVNKLEGKQTSLLDLKGTGEKISLGGLGGGMLLAGALALIGWRKRKQTRA

Entity 2 Entity 2 polymer

Description description	NE1300
Molecular weight formula_weight	7460.5 kDa
Source method src_method	nat
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D,E,F

SGNLESSLAPISAKDMLDYLACKDKKPTDVVKSHTEVENGKIVRVKCGDIVALVQKAREQSGDAWQGGY

Entity 3 Entity 3 non-polymer

Description description	HEME C
Molecular weight formula_weight	618.5 kDa
Source method src_method	syn
Copy count entity_count	21

Entity 4 Entity 4 non-polymer

Description description	;{3,3'-[(9S)-8,13-diethenyl-3,7,12,17-tetramethyl-9,10-dihydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(2-)}iron ;
Molecular weight formula_weight	618.5 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 5 Entity 5 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	17

Entity 6 Entity 6 non-polymer

Description description	TRIETHYLENE GLYCOL
Molecular weight formula_weight	150.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 7 Entity 7 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	15

Entity 8 Entity 8 non-polymer

Description description	HEXAETHYLENE GLYCOL
Molecular weight formula_weight	282.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 9 Entity 9 non-polymer

Description description	TETRAETHYLENE GLYCOL
Molecular weight formula_weight	194.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 10 Entity 10 non-polymer

Description description	NITRATE ION
Molecular weight formula_weight	62.0 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 11 Entity 11 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	785

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6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d4fasa_
Class class	a — All alpha proteins
Fold Fold fold	a.138 — Multiheme cytochromes
Superfamily Superfamily superfamily	a.138.1 — Multiheme cytochromes
Family Family family	a.138.1.3 — Di-heme elbow motif

Domain ID domain_id	d4fasb_
Class class	a — All alpha proteins
Fold Fold fold	a.138 — Multiheme cytochromes
Superfamily Superfamily superfamily	a.138.1 — Multiheme cytochromes
Family Family family	a.138.1.3 — Di-heme elbow motif

Domain ID domain_id	d4fasc_
Class class	a — All alpha proteins
Fold Fold fold	a.138 — Multiheme cytochromes
Superfamily Superfamily superfamily	a.138.1 — Multiheme cytochromes
Family Family family	a.138.1.3 — Di-heme elbow motif

CATH v4.4 (9 domains)

Domain ID domain_id	4fasA01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	780 — Hydroxylamine Oxidoreductase; Chain A, domain 1
Homologous superfamily homologous superfamily	10 — Hydroxylamine Oxidoreductase; Chain A, domain 1

Domain ID domain_id	4fasA02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	850 — Hydroxylamine Oxidoreductase; Chain A, domain 2
Homologous superfamily homologous superfamily	10 — Hydroxylamine Oxidoreductase; Chain A, domain 2

Domain ID domain_id	4fasB01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	780 — Hydroxylamine Oxidoreductase; Chain A, domain 1
Homologous superfamily homologous superfamily	10 — Hydroxylamine Oxidoreductase; Chain A, domain 1

Domain ID domain_id	4fasB02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	850 — Hydroxylamine Oxidoreductase; Chain A, domain 2
Homologous superfamily homologous superfamily	10 — Hydroxylamine Oxidoreductase; Chain A, domain 2

Domain ID domain_id	4fasC01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	780 — Hydroxylamine Oxidoreductase; Chain A, domain 1
Homologous superfamily homologous superfamily	10 — Hydroxylamine Oxidoreductase; Chain A, domain 1

Domain ID domain_id	4fasC02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	850 — Hydroxylamine Oxidoreductase; Chain A, domain 2
Homologous superfamily homologous superfamily	10 — Hydroxylamine Oxidoreductase; Chain A, domain 2

Domain ID domain_id	4fasD00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily	100 —

Domain ID domain_id	4fasE00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily	100 —

Domain ID domain_id	4fasF00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily	100 —

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Unit-cell length a length_a	140.731 Å
Unit-cell length b length_b	142.618 Å
Unit-cell length c length_c	107.376 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 21 21 2
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	2.100 Å
Low-resolution limit resolution_low	42.890 Å
R factor r_factor	0.1670
R_work r_work	0.1649
R_free r_free	0.2058

Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea

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

Hydroxylamine oxidoreductase

State in the Current Structure

Other States of the Same Protein in the Database

NE1300

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

4fas__assembly_1__model_1

4fas__assembly_1__model_1 | I(q)

4fas__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 (11)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (3 domains)

CATH v4.4 (9 domains)

7. Citations (1)

Complex crystal structure of hydroxylamine oxidoreductase and NE1300 from Nitrosomonas europaea

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

Hydroxylamine oxidoreductase

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

NE1300

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

4fas__assembly_1__model_1

4fas__assembly_1__model_1 | I(q)

4fas__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 (11)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 water

6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (3 domains)

CATH v4.4 (9 domains)

7. Citations (1)