8wgs

Crystal structure of V30M-TTR in complex with compound 4

Method: X-RAY DIFFRACTION Dmax: 60.7 Å Quality: GOOD

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

Transthyretin

Homo sapiens

UniProt P02766

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 homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 1–147 Chain B; UniProt 1–147 Mutation:V30M WGH [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;PEG 400, sodium acetate, calcium chloride Resolution 1.80 Å R-free 0.214

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.

460 other PDB entries and 501 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TTHY_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 13–159; UniProt 1–147 Author chain B; PDBConstruct 13–159; UniProt 1–147

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 8wgs

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8wgs
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8wgs
Deposition date deposition_date2023-09-22
Structure title titleCrystal structure of V30M-TTR in complex with compound 4
Keywords keywordsTransthyretin, amyloidosis, inhibitor, benziodarone derivative, TRANSPORT PROTEIN; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.90
Radius of gyration Rg (electron density) rg_electron17.51
Forward intensity I(0) i013116100.00
Molecular weight molecular_weight26361.0 kDa
Excluded volume excluded_volume32399 ų
Envelope volume envelope_volume37567 ų
Hydration-shell volume shell_volume17887 ų
Envelope diameter envelope_diameter63.2
Shell Rg shell_rg23.74
Envelope Rg envelope_rg17.72
Shape Rg shape_rg17.46
Total Rg total_rg18.59
Total atoms total_atoms1817
Residues n_residues230
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 dmax60.7
Rg (real space) rg_real18.78
Rg uncertainty (real space) rg_real_error0.28
I(0) (real space) i0_real1.3120e+07
I(0) uncertainty (real space) i0_real_error1.4890e+05
Rg (reciprocal space) rg_reciprocal18.80
I(0) (reciprocal space) i0_reciprocal13120000.0000
Solution quality estimate total_estimate0.8866
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.8
Skewness Skewness skewness0.123
Kurtosis Kurtosis kurtosis-0.417
Angular range angular_range— – 0.4200 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2508000.0000
Real-space data points n_real_points73
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.992

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

8. Citations (1)

9. Files and Curves (10)