SAXSdb — 3kwi

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

Non-structural protein 1

Influenza A virus

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 78–205	Fragment：NS1 effector domain Mutation：W187Y	No other associated polymer	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
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 78–205	Fragment：NS1 effector domain Mutation：W187Y	No other associated polymer	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

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 3KWI	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AIL N-TERMINAL FRAGMENT OF NS1 PROTEIN FROM INFLUENZA A VIRUS Deposited 1997-04-21	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–72（72 aa） Fragment：RNA-BINDING DOMAIN	Not recorded	No recorded non-water small molecule	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
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 oligomeric state 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 oligomeric state 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

6 other PDB entries and 13 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NS1_I72A2
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 14–141； UniProt 78–205 Author chain B； PDBConstruct 14–141； UniProt 78–205

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	3kwi
Deposition date deposition_date	2009-12-01
Structure title title	X-ray structure of NS1 effector domain W187Y mutant
Keywords keywords	;influenza, NS1, effector domain, Alternative splicing, Host cytoplasm, Host nucleus, Host-virus interaction, Interferon antiviral system evasion, RNA-binding, Suppressor of RNA silencing, VIRAL PROTEIN ;; VIRAL 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	20.38 Å
Radius of gyration Rg (electron density) rg_electron	19.80 Å
Forward intensity I(0) i0	12082700.00
Molecular weight molecular_weight	26900.0 kDa
Excluded volume excluded_volume	34112 Å³
Envelope volume envelope_volume	39284 Å³
Hydration-shell volume shell_volume	17231 Å³
Envelope diameter envelope_diameter	68.2 Å
Shell Rg shell_rg	25.25 Å
Envelope Rg envelope_rg	19.94 Å
Shape Rg shape_rg	19.83 Å
Total Rg total_rg	20.55 Å
Total atoms total_atoms	1889
Residues n_residues	239
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	68.3 Å
Rg (real space) rg_real	20.39 Å
Rg uncertainty (real space) rg_real_error	0.42 Å
I(0) (real space) i0_real	1.2080e+07
I(0) uncertainty (real space) i0_real_error	1.5540e+05
Rg (reciprocal space) rg_reciprocal	20.39 Å
I(0) (reciprocal space) i0_reciprocal	12080000.0000
Solution quality estimate total_estimate	0.8823
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.4 Å
Skewness Skewness skewness	0.354
Kurtosis Kurtosis kurtosis	-0.380
Angular range angular_range	— – 0.3900 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2166000.0000
Real-space data points n_real_points	71
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.829; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.994

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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) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3kwia_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.299 — Ns1 effector domain-like
Superfamily Superfamily superfamily	d.299.1 — Ns1 effector domain-like
Family Family family	d.299.1.1 — Ns1 effector domain-like

Domain ID domain_id	d3kwib_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.299 — Ns1 effector domain-like
Superfamily Superfamily superfamily	d.299.1 — Ns1 effector domain-like
Family Family family	d.299.1.1 — Ns1 effector domain-like

CATH v4.4 (2 domains)

Domain ID domain_id	3kwiA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily	330 — Influenza virus non-structural protein, effector domain

Domain ID domain_id	3kwiB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily	330 — Influenza virus non-structural protein, effector domain

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8. Citations (1)

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Unit-cell length a length_a	47.991 Å
Unit-cell length b length_b	60.236 Å
Unit-cell length c length_c	132.655 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 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.210 Å
Low-resolution limit resolution_low	36.120 Å
R factor r_factor	0.2236
R_work r_work	0.2218
R_free r_free	0.2576

Description description	Non-structural protein 1
Molecular weight formula_weight	16014.4 kDa
Mutation mutation	W187Y
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	1972

X-ray structure of NS1 effector domain W187Y mutant

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

Non-structural protein 1

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

来源 Source

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Influenza A virus
NCBI Class编号 ncbi_taxonomy_id	381517
宿主生物 host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	83

fit	/app/data/saxs_computation/kw/3kwi/3kwi.fit
pddf	/app/data/pr_computation/kw/3kwi/3kwi.pr.out
profile	/app/data/saxs_computation/kw/3kwi/3kwi.dat