8z30

Crystal structure of HOIP PUB domain in complex with tolfenamic acid complex

Method: X-RAY DIFFRACTION Dmax: 87.9 Å Quality: REASONABLE

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

E3 ubiquitin-protein ligase RNF31

Homo sapiens

UniProt Q96EP0

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 4–179 Chain B; UniProt 4–179 Chain C; UniProt 4–179 Not recorded PEG DI(HYDROXYETHYL)ETHER × 3 TLF 2-[(3-chloro-2-methylphenyl)amino]benzoic acid × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 TOE 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;277 K;20 mM Tris, 150 mM NaCl, pH 7.5, 10% w/v PEG1000, 10% w/v PEG8000 Resolution 2.30 Å R-free 0.242

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.

35 other PDB entries and 74 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RNF31_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–176; UniProt 4–179 Author chain B; PDBConstruct 1–176; UniProt 4–179 Author chain C; PDBConstruct 1–176; UniProt 4–179

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 8z30

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8z30
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8z30
Deposition date deposition_date2024-04-14
Structure title titleCrystal structure of HOIP PUB domain in complex with tolfenamic acid complex
Keywords keywordsE3 ubiquitin-protein ligase HOIP, sertraline, LIGASE; LIGASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier26.98
Radius of gyration Rg (electron density) rg_electron25.92
Forward intensity I(0) i059680600.00
Molecular weight molecular_weight59899.0 kDa
Excluded volume excluded_volume74972 ų
Envelope volume envelope_volume93759 ų
Hydration-shell volume shell_volume30280 ų
Envelope diameter envelope_diameter93.2
Shell Rg shell_rg33.11
Envelope Rg envelope_rg25.93
Shape Rg shape_rg25.93
Total Rg total_rg26.66
Total atoms total_atoms4233
Residues n_residues528
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 dmax87.9
Rg (real space) rg_real26.90
Rg uncertainty (real space) rg_real_error0.67
I(0) (real space) i0_real5.9680e+07
I(0) uncertainty (real space) i0_real_error8.5050e+05
Rg (reciprocal space) rg_reciprocal26.93
I(0) (reciprocal space) i0_reciprocal59680000.0000
Solution quality estimate total_estimate0.6334
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.3
Skewness Skewness skewness0.247
Kurtosis Kurtosis kurtosis-0.392
Angular range angular_range— – 0.2950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha12890000.0000
Real-space data points n_real_points60
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 0.199; Positv: 1.000; Valcen: 0.993; 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)