› 6ijb

X-ray diffraction
2.11Å resolution

Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA

Released:
DOI: 10.2210/pdb6ijb/pdb
PDB entry 6ijb coloured by chain, front view.
PDB entry 6ijb coloured by chain, side view.
PDB entry 6ijb coloured by chain, top view.
Source organism: Ruegeria lacuscaerulensis ITI-1157
Primary publication:
Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Shao X, Cao HY, Zhao F, Peng M, Wang P, Li CY, Shi WL, Wei TD, Yuan Z, Zhang XH, Chen XL, Todd JD, Zhang YZ
Mol Microbiol 111 1057-1073 (2019)
PMID: 30677184

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166891 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AMP-binding domain protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 539 amino acids
Theoretical weight: 59.41 KDa
Source organism: Ruegeria lacuscaerulensis ITI-1157
Expression system: Escherichia coli BL21(DE3)

Ligands and Environments

3 bound ligands:
Ligand AMP 1 x AMP
Ligand B3P 1 x B3P
Ligand A8C 1 x A8C
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P21
Unit cell:
a: 65.467Å b: 122.572Å c: 74.26Å
α: 90° β: 93.11° γ: 90°
R-values:
R R work R free
0.188 0.186 0.224
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Stressed out: Bacterial response to high salinity using compatible solute biosynthesis and uptake systems, lessons from Vibrionaceae.
Gregory et al. (2021)
9 other articles

1 mention without citation

Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Shao et al. (2019)