› 7slh

X-ray diffraction
1.15Å resolution

Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C3

Released:
DOI: 10.2210/pdb7slh/pdb
Model geometry
Fit model/data
PDB entry 7slh coloured by chain, front view.
PDB entry 7slh coloured by chain, side view.
PDB entry 7slh coloured by chain, top view.
Source organism: Physeter catodon
Primary publication:
Biocatalytic strategy for the construction of sp3-rich polycyclic compounds from directed evolution and computational modelling.
Vargas DA, Ren X, Sengupta A, Zhu L, Roy S, Garcia-Borràs M, Houk KN, Fasan R
Nat Chem 16 817-826 (2024)
PMID: 38351380

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135409 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Myoglobin Chain: A
Molecule details ›
Chain: A
Length: 154 amino acids
Theoretical weight: 17.33 KDa
Source organism: Physeter catodon
Expression system: Escherichia coli
UniProt:
  • Canonical: P02185 (Residues: 1-154; Coverage: 100%)
Gene name: MB
Sequence domains: Globin

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand SO4 7 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P6
Unit cell:
a: 90.519Å b: 90.519Å c: 45.374Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.108 0.107 0.126
Expression system: Escherichia coli

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