8bqt

Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates

Method: X-RAY DIFFRACTION Dmax: 55.4 Å Quality: GOOD

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

Lysozyme C

OrganismNot specified

UniProt P00698

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 19–147 Not recorded U7U Mn-Mo(6)-O(24)-C(10) cluster × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.6;293 K;130 mg/mL Lysozyme, 20 mM AE-CH3, 0.1 M magnesium chloride, 0.1 M sodium acetate buffer (pH 4.6) and 25% (w/v) PEG 400. Resolution 1.47 Å R-free 0.202

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.

1320 other PDB entries and 1450 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name LYSC_CHICK
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–129; UniProt 19–147

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 8bqt

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8bqt
Deposition date deposition_date2022-11-21
Structure title titleHen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates
Keywords keywordsinteractions, polyoxometalate, Anderson-Evans, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier16.71
Radius of gyration Rg (electron density) rg_electron14.99
Forward intensity I(0) i07700270.00
Molecular weight molecular_weight16646.0 kDa
Excluded volume excluded_volume18942 ų
Envelope volume envelope_volume21234 ų
Hydration-shell volume shell_volume12551 ų
Envelope diameter envelope_diameter56.3
Shell Rg shell_rg20.14
Envelope Rg envelope_rg14.97
Shape Rg shape_rg14.49
Total Rg total_rg16.81
Total atoms total_atoms1080
Residues n_residues129
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 dmax55.4
Rg (real space) rg_real16.65
Rg uncertainty (real space) rg_real_error0.34
I(0) (real space) i0_real7.7000e+06
I(0) uncertainty (real space) i0_real_error8.7900e+04
Rg (reciprocal space) rg_reciprocal16.66
I(0) (reciprocal space) i0_reciprocal7700000.0000
Solution quality estimate total_estimate0.8829
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary20.9
Skewness Skewness skewness0.151
Kurtosis Kurtosis kurtosis-0.334
Angular range angular_range— – 0.4750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha178400.0000
Real-space data points n_real_points78
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.964

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id8bqtA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology530 — Lysozyme
Homologous superfamily homologous superfamily10

8. Citations (1)

9. Files and Curves (10)