13sa

PanDDA analysis group deposition -- IDOL RING domain in complex with Z1251361039

Method: X-RAY DIFFRACTION Dmax: 65.9 Å Quality: GOOD

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

E3 ubiquitin-protein ligase MYLIP

Homo sapiens

UniProt Q8WY64

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 × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 369–445 Chain B; UniProt 369–445 Not recorded ZN ZINC ION × 4 ACT ACETATE ION × 1 A1CYA (2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;200 mM Sodium acetate, 100 mM Tris, 30% w/v PEG 4000 Resolution 1.57 Å R-free 0.234
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 369–445 Chain D; UniProt 369–445 Not recorded ZN ZINC ION × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8.5;293 K;200 mM Sodium acetate, 100 mM Tris, 30% w/v PEG 4000 Resolution 1.57 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.

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

View Construct and Data Evidence
UniProt name MYLIP_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–78; UniProt 369–445 Author chain B; PDBConstruct 2–78; UniProt 369–445 Author chain C; PDBConstruct 2–78; UniProt 369–445 Author chain D; PDBConstruct 2–78; UniProt 369–445

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 13sa

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id13sa
Deposition date deposition_date2025-10-10
最后修订 last_revision2025-12-10
Structure title titlePanDDA analysis group deposition -- IDOL RING domain in complex with Z1251361039
Keywords keywordsDiamond I04-1 fragment screening, PanDDA, XChemExplorer, E3, ubiquitin, Zinc finger, RING, ligase; LIGASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.30
Radius of gyration Rg (electron density) rg_electron20.38
Forward intensity I(0) i040370900.00
Molecular weight molecular_weight30643.0 kDa
Excluded volume excluded_volume28385 ų
Envelope volume envelope_volume50713 ų
Hydration-shell volume shell_volume20802 ų
Envelope diameter envelope_diameter68.6
Shell Rg shell_rg26.79
Envelope Rg envelope_rg20.64
Shape Rg shape_rg20.43
Total Rg total_rg20.95
Total atoms total_atoms2227
Residues n_residues282
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 dmax65.9
Rg (real space) rg_real21.18
Rg uncertainty (real space) rg_real_error0.46
I(0) (real space) i0_real4.0370e+07
I(0) uncertainty (real space) i0_real_error5.2050e+05
Rg (reciprocal space) rg_reciprocal21.21
I(0) (reciprocal space) i0_reciprocal40370000.0000
Solution quality estimate total_estimate0.8302
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.1
Skewness Skewness skewness0.141
Kurtosis Kurtosis kurtosis-0.460
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3095000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.932; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

8. Citations (1)

9. Files and Curves (10)