13yw

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z26333448

Method: X-RAY DIFFRACTION Dmax: 70.9 Å Quality: REASONABLE

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

3Dpol RNA Dependent RNA Polymerase

enterovirus D68

UniProt F1T146

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 1732–2188 Not recorded IPA ISOPROPYL ALCOHOL × 15 PEG DI(HYDROXYETHYL)ETHER × 1 GOL GLYCEROL × 1 GQP 1-[(4-fluorophenyl)methyl]benzimidazole × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8.5;289 K;0.1 M TRIS-HCl (pH 8.5), 16% PEG 3350, 16% Isopropanol Resolution 1.77 Å R-free 0.244

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.

69 other PDB entries and 69 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name F1T146_HED68
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–457; UniProt 1732–2188

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 13yw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 13yw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id13yw
Deposition date deposition_date2026-03-06
最后修订 last_revision2026-03-18
Structure title titlePanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z26333448
Keywords keywordsSGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, RNA-dependent RNA polymerase, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier24.20
Radius of gyration Rg (electron density) rg_electron23.07
Forward intensity I(0) i043659800.00
Molecular weight molecular_weight53017.0 kDa
Excluded volume excluded_volume67181 ų
Envelope volume envelope_volume82824 ų
Hydration-shell volume shell_volume29218 ų
Envelope diameter envelope_diameter73.7
Shell Rg shell_rg30.71
Envelope Rg envelope_rg22.85
Shape Rg shape_rg23.06
Total Rg total_rg24.04
Total atoms total_atoms3730
Residues n_residues457
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 dmax70.9
Rg (real space) rg_real23.98
Rg uncertainty (real space) rg_real_error0.31
I(0) (real space) i0_real4.3660e+07
I(0) uncertainty (real space) i0_real_error5.5510e+05
Rg (reciprocal space) rg_reciprocal24.03
I(0) (reciprocal space) i0_reciprocal43660000.0000
Solution quality estimate total_estimate0.7036
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary69.8
Skewness Skewness skewness0.001
Kurtosis Kurtosis kurtosis-0.593
Angular range angular_range— – 0.3300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11300000.0000
Real-space data points n_real_points65
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 0.101; Positv: 1.000; Valcen: 0.980; Smooth: 0.988

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

8. Citations (1)

9. Files and Curves (10)