SAXSdb — 4htr

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

Sulfite reductase [NADPH] hemoprotein beta-component

Escherichia coli

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	SULFITE ION × 1 SODIUM ION × 1 IRON/SULFUR CLUSTER × 1 SIROHEME × 1 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	CYSI_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–507； UniProt 64–570

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	4htr
Deposition date deposition_date	2012-11-01
Structure title title	N149W variant of SiRHP bound to sulfite
Keywords keywords	oxidoreductase, siroheme-binding protein, iron-sulfur cluster, S/NiRR, oxidoreductase-substrate complex; oxidoreductase/substrate
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.

4htr__assembly_1__model_1

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

Download this curve (.dat)

4htr__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4htr__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	22.08 Å
Rg (electron density)	21.24 Å
Total Rg	21.99 Å
Atom count	3535
Residues	441
Excluded volume	62939 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4htr__assembly_1__model_1`	monomeric （1）	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 (6)

Entity 1 Entity 1 polymer

Description description	Sulfite reductase [NADPH] hemoprotein beta-component
Molecular weight formula_weight	57020.1 kDa
EC 编号 ec_number	1.8.1.2
Mutation mutation	N149W
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	4096

DIRAERAEQKLEPRHAMLLRCRLPGGVITTKQWQAIDKFAGENTIYGSIRLTNRQTFQFHGILKKNVKPVHQMLHSVGLDALATAWDMNRNVLCTSNPYESQLHAEAYEWAKKISEHLLPRTRAYAEIWLDQEKVATTDEEPILGQTYLPRKFKTTVVIPPQNDIDLHANDMNFVAIAENGKLVGFNLLVGGGLSIEHGNKKTYARTASEFGYLPLEHTLAVAEAVVTTQRDWGNRTDRKNAKTKYTLERVGVETFKAEVERRAGIKFEPIRPYEFTGRGDRIGWVKGIDDNWHLTLFIENGRILDYPARPLKTGLLEIAKIHKGDFRITANQNLIIAGVPESEKAKIEKIAKESGLMNAVTPQRENSMACVSFPTCPLAMAEAERFLPSFIDNIDNLMAKHGVSDEHIVMRVTGCPNGCGRAMLAEVGLVGKAPGRYNLHLGGNRIGTRIPRMYKENITEPEILASLDELIGRWAKEREAGEGFGDFTVRAGIIRPVLDPARDLWD

Source Source

Source organism organism	Escherichia coli
NCBI taxonomy ID ncbi_taxonomy_id	83333
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	SULFITE ION
Molecular weight formula_weight	80.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	IRON/SULFUR CLUSTER
Molecular weight formula_weight	351.6 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	SIROHEME
Molecular weight formula_weight	916.7 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	538

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6. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d4htra1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.36 — Nitrite/Sulfite reductase N-terminal domain-like
Family Family family	d.58.36.0 — automated matches

Domain ID domain_id	d4htra2
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.134 — Nitrite and sulphite reductase 4Fe-4S domain-like
Superfamily Superfamily superfamily	d.134.1 — Nitrite and sulphite reductase 4Fe-4S domain-like
Family Family family	d.134.1.0 — automated matches

Domain ID domain_id	d4htra3
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.36 — Nitrite/Sulfite reductase N-terminal domain-like
Family Family family	d.58.36.0 — automated matches

Domain ID domain_id	d4htra4
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.134 — Nitrite and sulphite reductase 4Fe-4S domain-like
Superfamily Superfamily superfamily	d.134.1 — Nitrite and sulphite reductase 4Fe-4S domain-like
Family Family family	d.134.1.0 — automated matches

CATH v4.4 (3 domains)

Domain ID domain_id	4htrA01
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	480 — Sulfite Reductase Hemoprotein; domain 2
Homologous superfamily homologous superfamily	10 — Sulfite Reductase Hemoprotein;Domain 2

Domain ID domain_id	4htrA02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	413 — Sulfite Reductase Hemoprotein; domain 1
Homologous superfamily homologous superfamily	10 — Sulfite Reductase Hemoprotein, domain 1

Domain ID domain_id	4htrA03
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	413 — Sulfite Reductase Hemoprotein; domain 1
Homologous superfamily homologous superfamily	10 — Sulfite Reductase Hemoprotein, domain 1

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Unit-cell length a length_a	66.458 Å
Unit-cell length b length_b	76.247 Å
Unit-cell length c length_c	81.382 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	4

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.600 Å
Low-resolution limit resolution_low	33.069 Å
R factor r_factor	0.1604
R_work r_work	0.1595
R_free r_free	0.1841

N149W variant of SiRHP bound to sulfite

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

Sulfite reductase [NADPH] hemoprotein beta-component

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

4htr__assembly_1__model_1

4htr__assembly_1__model_1 | I(q)

4htr__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (4 domains)

CATH v4.4 (3 domains)

7. Citations (1)

N149W variant of SiRHP bound to sulfite

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

Sulfite reductase [NADPH] hemoprotein beta-component

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

4htr__assembly_1__model_1

4htr__assembly_1__model_1 | I(q)

4htr__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (4 domains)

CATH v4.4 (3 domains)

7. Citations (1)