6z4o

A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group

Method: X-RAY DIFFRACTION Dmax: 70.6 Å Quality: GOOD

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

Superoxide dismutase [Cu-Zn]

Homo sapiens

UniProt P00441

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 AAA; UniProt 2–154 Chain BBB; UniProt 2–154 Mutation:A4V ZN ZINC ION × 4 Q7T ~{N}-(phenylmethyl)-2-selanyl-benzamide × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.7;292 K;100mM NaOAc pH 4.7, 150mM NaCl, 2.7M ammonium sulphate Resolution 1.40 Å R-free 0.232

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.

153 other PDB entries and 375 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SODC_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain AAA; PDBConstruct 1–153; UniProt 2–154 Author chain BBB; PDBConstruct 1–153; UniProt 2–154

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 6z4o

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6z4o
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6z4o
Deposition date deposition_date2020-05-25
Structure title titleA4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 1 in P21 space group
Keywords keywordsSOD1, ebselen, Motor neuron disease, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier20.70
Radius of gyration Rg (electron density) rg_electron19.71
Forward intensity I(0) i021371800.00
Molecular weight molecular_weight32441.0 kDa
Excluded volume excluded_volume39403 ų
Envelope volume envelope_volume46174 ų
Hydration-shell volume shell_volume19811 ų
Envelope diameter envelope_diameter72.2
Shell Rg shell_rg25.96
Envelope Rg envelope_rg20.10
Shape Rg shape_rg19.73
Total Rg total_rg20.46
Total atoms total_atoms2254
Residues n_residues306
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 dmax70.6
Rg (real space) rg_real20.70
Rg uncertainty (real space) rg_real_error0.50
I(0) (real space) i0_real2.1370e+07
I(0) uncertainty (real space) i0_real_error2.7910e+05
Rg (reciprocal space) rg_reciprocal20.70
I(0) (reciprocal space) i0_reciprocal21370000.0000
Solution quality estimate total_estimate0.8753
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary23.5
Skewness Skewness skewness0.345
Kurtosis Kurtosis kurtosis-0.348
Angular range angular_range— – 0.3850 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2518000.0000
Real-space data points n_real_points70
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.814; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.963

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)