› 6sq8

X-ray diffraction
2.59Å resolution

Structure of amide bond synthetase McbA from Marinactinospora thermotolerans

Released:
DOI: 10.2210/pdb6sq8/pdb
PDB entry 6sq8 coloured by chain, front view.
PDB entry 6sq8 coloured by chain, side view.
PDB entry 6sq8 coloured by chain, top view.
Source organism: Marinactinospora thermotolerans
Primary publication:
Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System.
Petchey MR, Rowlinson B, Lloyd RC, Fairlamb IJS, Grogan G
OpenAccess logo ACS Catal 10 4659-4663 (2020)
PMID: 32337091

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-195782 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid CoA ligase Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 498 amino acids
Theoretical weight: 53.15 KDa
Source organism: Marinactinospora thermotolerans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: R4R1U5 (Residues: 1-495; Coverage: 100%)
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand EQ2 5 x EQ2
Ligand AMP 5 x AMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 119.085Å b: 131.028Å c: 196.081Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.213 0.249
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Biocatalysis: Enzymatic Synthesis for Industrial Applications.
Wu et al. (2021)
4 more