13yr

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3Dpol in complex with Z198195770

Method: X-RAY DIFFRACTION Dmax: 77.4 Å Quality: GOOD

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 LJA N-[3-(carbamoylamino)phenyl]acetamide × 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 1.83 Å R-free 0.234

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 13yr

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id13yr
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 Z198195770
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_guinier24.30
Radius of gyration Rg (electron density) rg_electron23.16
Forward intensity I(0) i043839400.00
Molecular weight molecular_weight52983.0 kDa
Excluded volume excluded_volume67107 ų
Envelope volume envelope_volume83181 ų
Hydration-shell volume shell_volume29246 ų
Envelope diameter envelope_diameter76.5
Shell Rg shell_rg30.71
Envelope Rg envelope_rg22.98
Shape Rg shape_rg23.15
Total Rg total_rg24.12
Total atoms total_atoms3727
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 dmax77.4
Rg (real space) rg_real24.09
Rg uncertainty (real space) rg_real_error0.43
I(0) (real space) i0_real4.3840e+07
I(0) uncertainty (real space) i0_real_error6.0810e+05
Rg (reciprocal space) rg_reciprocal24.14
I(0) (reciprocal space) i0_reciprocal43840000.0000
Solution quality estimate total_estimate0.8148
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary76.1
Skewness Skewness skewness0.018
Kurtosis Kurtosis kurtosis-0.569
Angular range angular_range— – 0.3250 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha12770000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.864; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

8. Citations (1)

9. Files and Curves (10)