SAXSdb — 4iah

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

Alr2278 protein

Nostoc sp.

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	;4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid ; × 1 MALONATE ION × 1 water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	;4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid ; × 1 MALONATE ION × 1 water × 1	Consistent with protein count
3	Protein homooligomer	Homooligomer	Protein 3	;4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid ; × 3 MALONATE ION × 3 water × 3	Consistent with protein count
4	Protein homooligomer	Homooligomer	Protein 3	;4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid ; × 3 MALONATE ION × 3 water × 3	Consistent with protein count
5	Protein homooligomer	Homooligomer	Protein 6	;4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid ; × 6 MALONATE ION × 6 water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q8YUQ7_NOSS1
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–182； UniProt 1–182 Author chain B； PDBConstruct 1–182； UniProt 1–182

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	4iah
Deposition date deposition_date	2012-12-06
Structure title title	Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122
Keywords keywords	H-NOX domain, soluble guanylyl cyclase, BAY 60-2770, S-nitrosylation, conserved C122, Heme binding, NO binding, LYASE; LYASE
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.

4iah__assembly_1__model_1

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

Download this curve (.dat)

4iah__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4iah__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	17.70 Å
Rg (electron density)	16.26 Å
Total Rg	17.27 Å
Atom count	1486
Residues	181
Excluded volume	26288 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4iah__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`4iah__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`4iah__assembly_3__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`4iah__assembly_4__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
5	1	`4iah__assembly_5__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 (4)

Entity 1 Entity 1 polymer

Description description	Alr2278 protein
Molecular weight formula_weight	20387.8 kDa
EC 编号 ec_number	4.6.1.2
Mutation mutation	C139A
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	3005

MYGLVNKAIQDMISKHHGEDTWEAIKQKAGLEDIDFFVGMEAYSDDVTYHLVGAASEVLGKPAEELLIAFGEYWVTYTSEEGYGELLASAGDSLPEFMENLDNLHARVGLSFPQLRPPAFECQHTSSKSMELHYQSTRAGLAPMVLGLLHGLGKRFQTKVEVTQTAFRETGEDHDIFSIKYE

Source Source

Source organism organism	Nostoc sp.
NCBI taxonomy ID ncbi_taxonomy_id	103690
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	;4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid ;
Molecular weight formula_weight	623.6 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	MALONATE ION
Molecular weight formula_weight	102.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	35

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6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	4iahA00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	1520 — H-NOX domain
Homologous superfamily homologous superfamily	10 — H-NOX domain

Domain ID domain_id	4iahB00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	1520 — H-NOX domain
Homologous superfamily homologous superfamily	10 — H-NOX domain

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Unit-cell length a length_a	122.573 Å
Unit-cell length b length_b	122.573 Å
Unit-cell length c length_c	122.573 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	24

Space group space_group	P 21 3
Space-group number int_tables_number	198
Crystal system crystal_system	—

Resolution resolution	2.800 Å
Low-resolution limit resolution_low	86.690 Å
R factor r_factor	0.1650
R_work r_work	0.1628
R_free r_free	0.2176

Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122

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

Alr2278 protein

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

4iah__assembly_1__model_1

4iah__assembly_1__model_1 | I(q)

4iah__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 (4)

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 water

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)

Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122

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

Alr2278 protein

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

4iah__assembly_1__model_1

4iah__assembly_1__model_1 | I(q)

4iah__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 (4)

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 water

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)