› 6wfi

X-ray diffraction
1.37Å resolution

Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA

Released:
DOI: 10.2210/pdb6wfi/pdb
PDB entry 6wfi coloured by chain, front view.
PDB entry 6wfi coloured by chain, side view.
PDB entry 6wfi coloured by chain, top view.
Source organism: Streptomyces coelicolor A3(2)
Primary publication:
Substrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Stunkard LM, Benjamin AB, Bower JB, Huth TJ, Lohman JR
Chembiochem 23 e202100487 (2022)
PMID: 34856049

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192200 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
VOC domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 146 amino acids
Theoretical weight: 16.06 KDa
Source organism: Streptomyces coelicolor A3(2)
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9L2C2 (Residues: 1-146; Coverage: 100%)
Gene names: SC8F4.02c, SCO5398
Sequence domains: Glyoxalase/Bleomycin resistance protein/Dioxygenase superfamily

Ligands and Environments

5 bound ligands:
Ligand CO 1 x CO
Ligand SO4 2 x SO4
Ligand CL 1 x CL
Ligand PEG 1 x PEG
Ligand KFV 1 x KFV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P41212
Unit cell:
a: 68.837Å b: 68.837Å c: 103.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.147 0.174
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Structures of chloramphenicol acetyltransferase III and Escherichia coli β-ketoacylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(dethia)CoA.
Benjamin et al. (2023)