8vmf

Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide

Method: X-RAY DIFFRACTION Dmax: 77.5 Å Quality: REASONABLE

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

Glycogen synthase kinase-3 beta

Mus musculus

UniProt Q9WV60

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 heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 26–383 Not recorded Axin-1 × 1 (O35625) Catenin beta-1 × 1 (P35222) MG MAGNESIUM ION × 2 AF3 ALUMINUM FLUORIDE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:MICRODIALYSIS;pH 7.5;277 K;10% PEG35000, 20 mM Tris, pH 7.5, 300 mM sodium chloride, 5% glycerol, 10 mM magnesium chloride, 5 mM DTT, 200 uM ADP, 200 uM aluminum nitrate, 1.2 mM sodium fluoride Resolution 2.50 Å R-free 0.251

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.

5 other PDB entries and 7 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name GSK3B_MOUSE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–358; UniProt 26–383

Axin-1

Homo sapiens

UniProt O35625

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 heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 383–402 Not recorded Glycogen synthase kinase-3 beta × 1 (Q9WV60) Catenin beta-1 × 1 (P35222) MG MAGNESIUM ION × 2 AF3 ALUMINUM FLUORIDE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:MICRODIALYSIS;pH 7.5;277 K;10% PEG35000, 20 mM Tris, pH 7.5, 300 mM sodium chloride, 5% glycerol, 10 mM magnesium chloride, 5 mM DTT, 200 uM ADP, 200 uM aluminum nitrate, 1.2 mM sodium fluoride Resolution 2.50 Å R-free 0.251

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.

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name AXIN1_MOUSE
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 5–24; UniProt 383–402

Catenin beta-1

Homo sapiens

UniProt P35222

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 heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain C; UniProt 35–61 Mutation:S45D Glycogen synthase kinase-3 beta × 1 (Q9WV60) Axin-1 × 1 (O35625) MG MAGNESIUM ION × 2 AF3 ALUMINUM FLUORIDE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:MICRODIALYSIS;pH 7.5;277 K;10% PEG35000, 20 mM Tris, pH 7.5, 300 mM sodium chloride, 5% glycerol, 10 mM magnesium chloride, 5 mM DTT, 200 uM ADP, 200 uM aluminum nitrate, 1.2 mM sodium fluoride Resolution 2.50 Å R-free 0.251

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.

46 other PDB entries and 64 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CTNB1_HUMAN
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 2–28; UniProt 35–61

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 8vmf

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8vmf
Deposition date deposition_date2024-01-13
Structure title titleCrystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide
Keywords keywordsGSK-3, kinase, TRANSFERASE-SIGNALING PROTEIN complex; TRANSFERASE/SIGNALING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier22.89
Radius of gyration Rg (electron density) rg_electron21.80
Forward intensity I(0) i030718100.00
Molecular weight molecular_weight42969.0 kDa
Excluded volume excluded_volume53998 ų
Envelope volume envelope_volume64082 ų
Hydration-shell volume shell_volume24462 ų
Envelope diameter envelope_diameter80.2
Shell Rg shell_rg28.88
Envelope Rg envelope_rg22.29
Shape Rg shape_rg21.81
Total Rg total_rg22.67
Total atoms total_atoms3049
Residues n_residues379
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 dmax77.5
Rg (real space) rg_real22.84
Rg uncertainty (real space) rg_real_error0.47
I(0) (real space) i0_real3.0720e+07
I(0) uncertainty (real space) i0_real_error3.7880e+05
Rg (reciprocal space) rg_reciprocal22.85
I(0) (reciprocal space) i0_reciprocal30720000.0000
Solution quality estimate total_estimate0.6864
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.2
Skewness Skewness skewness0.320
Kurtosis Kurtosis kurtosis-0.270
Angular range angular_range— – 0.3450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8223000.0000
Real-space data points n_real_points66
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.804; Stabil: 1.000; Sysdev: 0.171; Positv: 1.000; Valcen: 0.996; Smooth: 0.998

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (9)

8. Citations (1)

9. Files and Curves (10)