› 5buk

X-ray diffraction
1.95Å resolution

Structure of flavin-dependent chlorinase Mpy16

Released:
DOI: 10.2210/pdb5buk/pdb
PDB entry 5buk coloured by chain, front view.
PDB entry 5buk coloured by chain, side view.
PDB entry 5buk coloured by chain, top view.
Source organism: Streptomyces sp. CNQ-418
Primary publication:
Biosynthesis of coral settlement cue tetrabromopyrrole in marine bacteria by a uniquely adapted brominase-thioesterase enzyme pair.
El Gamal A, Agarwal V, Diethelm S, Rahman I, Schorn MA, Sneed JM, Louie GV, Whalen KE, Mincer TJ, Noel JP, Paul VJ, Moore BS
Proc Natl Acad Sci U S A 113 3797-802 (2016)
PMID: 27001835

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125330 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FAD-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 450 amino acids
Theoretical weight: 50.3 KDa
Source organism: Streptomyces sp. CNQ-418
Expression system: Escherichia coli
UniProt:
  • Canonical: J7H1A1 (Residues: 1-447; Coverage: 100%)
Gene name: mpy16
Sequence domains: FAD binding domain
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments

2 bound ligands:
Ligand FAD 2 x FAD
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P212121
Unit cell:
a: 62.831Å b: 73.276Å c: 189.717Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.212
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Antibiotics from Gram-negative bacteria: a comprehensive overview and selected biosynthetic highlights.
Masschelein et al. (2017)
9 more

4 mentions without citation

Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.
Agarwal et al. (2017)
3 more