9rti

Structure of WRN in complex with ATPgS and covalent ligand Compound 7

Method: X-RAY DIFFRACTION Dmax: 69.7 Å Quality: EXCELLENT

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

;Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN ;

Homo sapiens

UniProt Q14191

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 517–941 Not recorded AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 DMS DIMETHYL SULFOXIDE × 2 EDO 1,2-ETHANEDIOL × 15 A1JJ8 ~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide × 1 A1JJQ ~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide × 1 MLT D-MALATE × 1 PEG DI(HYDROXYETHYL)ETHER × 5 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.2;293 K;100 mM MMT pH 7.2, 25% w/v PEG 1500, 20% EG Resolution 2.20 Å R-free 0.274

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.

49 other PDB entries and 61 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name WRN_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 3–427; UniProt 517–941

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 9rti

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9rti
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9rti
Deposition date deposition_date2025-07-02
Structure title titleStructure of WRN in complex with ATPgS and covalent ligand Compound 7
Keywords keywordsDNA Damage Repair, Inhibitor, Complex, Helicase, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier22.67
Radius of gyration Rg (electron density) rg_electron21.88
Forward intensity I(0) i075688100.00
Molecular weight molecular_weight44810.0 kDa
Excluded volume excluded_volume42922 ų
Envelope volume envelope_volume70268 ų
Hydration-shell volume shell_volume26303 ų
Envelope diameter envelope_diameter71.0
Shell Rg shell_rg29.12
Envelope Rg envelope_rg21.98
Shape Rg shape_rg21.86
Total Rg total_rg22.53
Total atoms total_atoms3374
Residues n_residues401
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 dmax69.7
Rg (real space) rg_real22.57
Rg uncertainty (real space) rg_real_error0.32
I(0) (real space) i0_real7.5690e+07
I(0) uncertainty (real space) i0_real_error9.6160e+05
Rg (reciprocal space) rg_reciprocal22.60
I(0) (reciprocal space) i0_reciprocal75690000.0000
Solution quality estimate total_estimate0.9071
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.5
Skewness Skewness skewness0.233
Kurtosis Kurtosis kurtosis-0.427
Angular range angular_range— – 0.3500 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha12950000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.990

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (10)

8. Citations (1)

9. Files and Curves (10)