7xme

Structure of Influenza A virus polymerase basic protein 2 (PB2) with an azazindole derivative

Method: X-RAY DIFFRACTION Dmax: 109.2 Å Quality: GOOD

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

Polymerase basic protein 2

Influenza A virus (A/Victoria/3/1975(H3N2))

UniProt P31345

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 318–483 Not recorded IOD IODIDE ION × 1 GIH (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;277.15 K;Soudium,BIS-Tris propane pH 8.5,PEG3350 Resolution 2.52 Å R-free 0.330
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 318–483 Not recorded IOD IODIDE ION × 1 GIH (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;277.15 K;Soudium,BIS-Tris propane pH 8.5,PEG3350 Resolution 2.52 Å R-free 0.330
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain C; UniProt 318–483 Not recorded IOD IODIDE ION × 1 GIH (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;277.15 K;Soudium,BIS-Tris propane pH 8.5,PEG3350 Resolution 2.52 Å R-free 0.330
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain D; UniProt 318–483 Not recorded IOD IODIDE ION × 1 GIH (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;277.15 K;Soudium,BIS-Tris propane pH 8.5,PEG3350 Resolution 2.52 Å R-free 0.330

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.

16 other PDB entries and 22 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PB2_I75A3
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–166; UniProt 318–483 Author chain B; PDBConstruct 1–166; UniProt 318–483 Author chain C; PDBConstruct 1–166; UniProt 318–483 Author chain D; PDBConstruct 1–166; UniProt 318–483

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.

SAXS scattering curve SAXS Profile

SAXS profile for 7xme

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7xme
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id7xme
Deposition date deposition_date2022-04-25
Structure title titleStructure of Influenza A virus polymerase basic protein 2 (PB2) with an azazindole derivative
Keywords keywordsInhibitor, Complex, RNA BINDING PROTEIN; RNA BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier32.20
Radius of gyration Rg (electron density) rg_electron31.93
Forward intensity I(0) i083760400.00
Molecular weight molecular_weight71315.0 kDa
Excluded volume excluded_volume88804 ų
Envelope volume envelope_volume115540 ų
Hydration-shell volume shell_volume31637 ų
Envelope diameter envelope_diameter112.8
Shell Rg shell_rg36.80
Envelope Rg envelope_rg31.58
Shape Rg shape_rg31.91
Total Rg total_rg32.41
Total atoms total_atoms5053
Residues n_residues618
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax109.2
Rg (real space) rg_real32.33
Rg uncertainty (real space) rg_real_error0.79
I(0) (real space) i0_real8.3760e+07
I(0) uncertainty (real space) i0_real_error1.3980e+06
Rg (reciprocal space) rg_reciprocal32.28
I(0) (reciprocal space) i0_reciprocal83760000.0000
Solution quality estimate total_estimate0.8690
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks0
Primary peak position r_peak_primary
Skewness Skewness skewness0.376
Kurtosis Kurtosis kurtosis-0.352
Angular range angular_range— – 0.2450 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha14420000.0000
Real-space data points n_real_points50
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.902; Smooth: 0.801

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)