› 6kjr

X-ray diffraction
2.36Å resolution

Functional and structural insights into the unusual oxyanion hole-like geometry in macrolactin acyltransferase selective for dicarboxylic acyl donors

Released:
DOI: 10.2210/pdb6kjr/pdb
PDB entry 6kjr coloured by chain, front view.
PDB entry 6kjr coloured by chain, side view.
PDB entry 6kjr coloured by chain, top view.
Source organism: Jeotgalibacillus marinus
Primary publication:
Structural Basis of Specificity for Carboxyl-Terminated Acyl Donors in a Bacterial Acyltransferase.
Xiao F, Dong S, Liu Y, Feng Y, Li H, Yun CH, Cui Q, Li W
J Am Chem Soc 142 16031-16038 (2020)
PMID: 32803979

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102722 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase-related domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 391 amino acids
Theoretical weight: 44.22 KDa
Source organism: Jeotgalibacillus marinus
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0U1X4V6 (Residues: 13-375; Coverage: 97%)
Gene name: mlnI
Sequence domains: Beta-lactamase

Ligands and Environments

1 bound ligand:
Ligand D9O 1 x D9O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P4212
Unit cell:
a: 117.947Å b: 117.947Å c: 52.222Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.184 0.243
Expression system: Escherichia coli

Quick links

Citations

4 citation in other articles

Discovery, Biosynthesis and Biological Activity of a Succinylated Myxochelin from the Myxobacterial Strain MSr12020.
Okoth et al. (2022)
3 more