› 4twu

X-ray diffraction
1.08Å resolution

Horse heart myoglobin mutant (D44K/D60K/E85K) with Zn-deuteroporphyrin IX

Released:
DOI: 10.2210/pdb4twu/pdb
PDB entry 4twu coloured by chain, front view.
PDB entry 4twu coloured by chain, side view.
PDB entry 4twu coloured by chain, top view.
Source organism: Equus caballus
Primary publication:
Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
Trana EN, Nocek JM, Woude JV, Span I, Smith SM, Rosenzweig AC, Hoffman BM
J Am Chem Soc 138 12615-28 (2016)
PMID: 27646786

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-549791 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Myoglobin Chain: A
Molecule details ›
Chain: A
Length: 154 amino acids
Theoretical weight: 17.14 KDa
Source organism: Equus caballus
Expression system: Escherichia coli
UniProt:
  • Canonical: P68082 (Residues: 1-154; Coverage: 100%)
Gene name: MB
Sequence domains: Globin
Structure domains: Globins

Ligands and Environments

2 bound ligands:
Ligand ZND 1 x ZND
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21
Unit cell:
a: 42.66Å b: 30.35Å c: 56.94Å
α: 90° β: 98.42° γ: 90°
R-values:
R R work R free
0.164 0.163 0.185
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Design of artificial metalloproteins/metalloenzymes by tuning noncovalent interactions.
Hirota et al. (2018)
2 other articles

2 mentions without citation

Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
Trana et al. (2016)
1 more