SAXSdb — 1ail

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

NONSTRUCTURAL PROTEIN NS1

OrganismNot specified

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–72	Fragment：RNA-BINDING DOMAIN	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；NATIVE CRYSTALS WERE GROWN FROM 50MM NAH2PO4, 100MM NACL, 1MM NAN3 AT PH 6.5; MERCURY DERIVATIVE CRYSTAL WAS PREPARED BY SOAKING THE NATIVE CRYSTAL IN 2MM CH3HGCL WITH 10% PEG 6000 AT PH 8.0; PLATINUM DERIVATIVE CRYSTAL WAS PREPARED BY SOAKING THE NATIVE CRYSTAL IN 4MM PT(NH3)2CL2 WITH 10% PEG 6000 AT PH 6.5.	Resolution 1.90 Å R-free 0.229

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 1AIL	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1NS1 RNA-BINDING DOMAIN OF NON-STRUCTURAL PROTEIN 1 FROM INFLUENZA VIRUS, NMR, 16 STRUCTURES Deposited 1997-10-02	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–73（73 aa） Fragment：RNA-BINDING DOMAIN, RESIDUES 1 - 73 Chain B 1–73（73 aa） Fragment：RNA-BINDING DOMAIN, RESIDUES 1 - 73	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；293 K	Resolution not provided
2RHK Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A Deposited 2007-10-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215) Chain B 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215)	Not recorded	NO3 NITRATE ION × 5 ZN ZINC ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；293 K；0.5 M KNO3, 10% sucroes, 0.1M sodium acitate, pH 5.5, EVAPORATION, temperature 293K, pH 5.50	Resolution 1.95 Å R-free 0.234
2RHK Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A Deposited 2007-10-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215) Chain B 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215)	Not recorded	NO3 NITRATE ION × 9 ZN ZINC ION × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；293 K；0.5 M KNO3, 10% sucroes, 0.1M sodium acitate, pH 5.5, EVAPORATION, temperature 293K, pH 5.50	Resolution 1.95 Å R-free 0.234
2RHK Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A Deposited 2007-10-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215)	Not recorded	NO3 NITRATE ION × 5 ZN ZINC ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；293 K；0.5 M KNO3, 10% sucroes, 0.1M sodium acitate, pH 5.5, EVAPORATION, temperature 293K, pH 5.50	Resolution 1.95 Å R-free 0.234
2RHK Crystal structure of influenza A NS1A protein in complex with F2F3 fragment of human cellular factor CPSF30, Northeast Structural Genomics Targets OR8C and HR6309A Deposited 2007-10-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215) Chain B 85–215（131 aa） Fragment：NS1A effector domain (UNP residues 85-215)	Not recorded	NO3 NITRATE ION × 4 ZN ZINC ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；293 K；0.5 M KNO3, 10% sucroes, 0.1M sodium acitate, pH 5.5, EVAPORATION, temperature 293K, pH 5.50	Resolution 1.95 Å R-free 0.234
3EE8 Structure of NS1 effector domain Deposited 2008-09-04	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 84–205（122 aa） Fragment：Effector domain (UNP residues 84-205)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；12% (w/v) PEG3350, and 4% (v/v) Tacsimate (pH6.0), VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.60 Å R-free 0.284
3EE8 Structure of NS1 effector domain Deposited 2008-09-04	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 84–205（122 aa） Fragment：Effector domain (UNP residues 84-205)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；298 K；12% (w/v) PEG3350, and 4% (v/v) Tacsimate (pH6.0), VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.60 Å R-free 0.284
3EE9 Structure of NS1 effector domain Deposited 2008-09-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 84–205（122 aa） Fragment：Effector domain (UNP residues 84-205)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions Batch；pH 5.5；298 K；20% (w/v) PEG400, 0.1M CH3COONa (pH5.5), 0.1M MgSO4, Batch, temperature 298K	Resolution 2.14 Å R-free 0.234
3EE9 Structure of NS1 effector domain Deposited 2008-09-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 84–205（122 aa） Fragment：Effector domain (UNP residues 84-205)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions Batch；pH 5.5；298 K；20% (w/v) PEG400, 0.1M CH3COONa (pH5.5), 0.1M MgSO4, Batch, temperature 298K	Resolution 2.14 Å R-free 0.234
3KWG X-ray structure of NS1 effector domain W187A mutant Deposited 2009-12-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 78–205（128 aa） Fragment：NS1 effector domain	Mutation：W187A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；277 K；0.3M magnesium formate, 0.1M Bis-Tris , pH 5.5, EVAPORATION, temperature 277K	Resolution 2.21 Å R-free 0.233
3KWG X-ray structure of NS1 effector domain W187A mutant Deposited 2009-12-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 78–205（128 aa） Fragment：NS1 effector domain	Mutation：W187A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；277 K；0.3M magnesium formate, 0.1M Bis-Tris , pH 5.5, EVAPORATION, temperature 277K	Resolution 2.21 Å R-free 0.233
3KWG X-ray structure of NS1 effector domain W187A mutant Deposited 2009-12-01	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 78–205（128 aa） Fragment：NS1 effector domain Chain B 78–205（128 aa） Fragment：NS1 effector domain	Mutation：W187A Mutation：W187A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；277 K；0.3M magnesium formate, 0.1M Bis-Tris , pH 5.5, EVAPORATION, temperature 277K	Resolution 2.21 Å R-free 0.233
3KWI X-ray structure of NS1 effector domain W187Y mutant Deposited 2009-12-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 78–205（128 aa） Fragment：NS1 effector domain	Mutation：W187Y	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；277 K；0.3M magnesium formate and 0.1M Bis-Tris , pH 5.5, EVAPORATION, temperature 277K	Resolution 2.21 Å R-free 0.258
3KWI X-ray structure of NS1 effector domain W187Y mutant Deposited 2009-12-01	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 78–205（128 aa） Fragment：NS1 effector domain	Mutation：W187Y	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 5.5；277 K；0.3M magnesium formate and 0.1M Bis-Tris , pH 5.5, EVAPORATION, temperature 277K	Resolution 2.21 Å R-free 0.258

6 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	VNS1_IAUDO
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–72； UniProt 1–72

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	1ail
Deposition date deposition_date	1997-04-21
Structure title title	N-TERMINAL FRAGMENT OF NS1 PROTEIN FROM INFLUENZA A VIRUS
Keywords keywords	RNA-BINDING PROTEIN, NONSTRUCTURAL PROTEIN, RNA BINDING PROTEIN; RNA BINDING PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	13.85 Å
Radius of gyration Rg (electron density) rg_electron	12.75 Å
Forward intensity I(0) i0	1454430.00
Molecular weight molecular_weight	7937.0 kDa
Excluded volume excluded_volume	9904 Å³
Envelope volume envelope_volume	11580 Å³
Hydration-shell volume shell_volume	8303 Å³
Envelope diameter envelope_diameter	45.2 Å
Shell Rg shell_rg	17.51 Å
Envelope Rg envelope_rg	13.10 Å
Shape Rg shape_rg	12.71 Å
Total Rg total_rg	14.04 Å
Total atoms total_atoms	558
Residues n_residues	70
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	47.5 Å
Rg (real space) rg_real	13.83 Å
Rg uncertainty (real space) rg_real_error	0.34 Å
I(0) (real space) i0_real	1.4540e+06
I(0) uncertainty (real space) i0_real_error	1.6520e+04
Rg (reciprocal space) rg_reciprocal	13.83 Å
I(0) (reciprocal space) i0_reciprocal	1454000.0000
Solution quality estimate total_estimate	0.8749
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	15.0 Å
Skewness Skewness skewness	0.250
Kurtosis Kurtosis kurtosis	-0.387
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	160500.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.809; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.949; Smooth: 0.992

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1aila_
Class class	a — All alpha proteins
Fold Fold fold	a.16 — S15/NS1 RNA-binding domain
Superfamily Superfamily superfamily	a.16.1 — S15/NS1 RNA-binding domain
Family Family family	a.16.1.1 — N-terminal, RNA-binding domain of nonstructural protein NS1

CATH v4.4 (1 domains)

Domain ID domain_id	1ailA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	10 — S15/NS1, RNA-binding

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8. Citations (1)

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Unit-cell length a length_a	38.651 Å
Unit-cell length b length_b	38.651 Å
Unit-cell length c length_c	82.928 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	8

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	1.900 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	—
R_work r_work	0.1820
R_free r_free	0.2290

Description description	NONSTRUCTURAL PROTEIN NS1
Molecular weight formula_weight	8338.4 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	592

N-TERMINAL FRAGMENT OF NS1 PROTEIN FROM INFLUENZA A VIRUS

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

NONSTRUCTURAL PROTEIN NS1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	34

fit	/app/data/saxs_computation/ai/1ail/1ail.fit
pddf	/app/data/pr_computation/ai/1ail/1ail.pr.out
profile	/app/data/saxs_computation/ai/1ail/1ail.dat