8kfh

Crystal structure of sperm whale myoglobin reconstituted with manganese porphycene

Method: X-RAY DIFFRACTION Dmax: 66.7 Å Quality: GOOD

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

Myoglobin

Physeter catodon

UniProt P02185

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 2–154 Mutation:D123N HNN PORPHYCENE CONTAINING MN × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;298 K;1.8 M ammonium sulfate, 100 mM Tris-HCl buffer at pH 8.2, 4% acetone and 10% trehalose Resolution 2.27 Å R-free 0.249
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 2–154 Mutation:D123N HNN PORPHYCENE CONTAINING MN × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;298 K;1.8 M ammonium sulfate, 100 mM Tris-HCl buffer at pH 8.2, 4% acetone and 10% trehalose Resolution 2.27 Å R-free 0.249

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.

354 other PDB entries and 365 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MYG_PHYMC
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 18–170; UniProt 2–154 Author chain B; PDBConstruct 18–170; 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 8kfh

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8kfh
Deposition date deposition_date2023-08-15
Structure title titleCrystal structure of sperm whale myoglobin reconstituted with manganese porphycene
Keywords keywordsglobin fold, oxygen transport, muscles, OXYGEN STORAGE; OXYGEN STORAGE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier20.99
Radius of gyration Rg (electron density) rg_electron19.69
Forward intensity I(0) i023498800.00
Molecular weight molecular_weight37924.0 kDa
Excluded volume excluded_volume47854 ų
Envelope volume envelope_volume55375 ų
Hydration-shell volume shell_volume23071 ų
Envelope diameter envelope_diameter68.3
Shell Rg shell_rg26.46
Envelope Rg envelope_rg19.76
Shape Rg shape_rg19.67
Total Rg total_rg20.65
Total atoms total_atoms2672
Residues n_residues320
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 dmax66.7
Rg (real space) rg_real20.84
Rg uncertainty (real space) rg_real_error0.34
I(0) (real space) i0_real2.3500e+07
I(0) uncertainty (real space) i0_real_error2.8600e+05
Rg (reciprocal space) rg_reciprocal20.87
I(0) (reciprocal space) i0_reciprocal23500000.0000
Solution quality estimate total_estimate0.8875
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.0
Skewness Skewness skewness0.132
Kurtosis Kurtosis kurtosis-0.369
Angular range angular_range— – 0.3800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5446000.0000
Real-space data points n_real_points70
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.852; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.990

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)