› 6n95

X-ray diffraction
1.8Å resolution

Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA

Released:
DOI: 10.2210/pdb6n95/pdb
PDB entry 6n95 coloured by chain, front view.
PDB entry 6n95 coloured by chain, side view.
PDB entry 6n95 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
Stunkard LM, Dixon AD, Huth TJ, Lohman JR
J Am Chem Soc 141 5121-5124 (2019)
PMID: 30869886

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156460 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Methylmalonyl-CoA decarboxylase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 261 amino acids
Theoretical weight: 29.19 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P52045 (Residues: 1-261; Coverage: 100%)
Gene names: JW2886, b2919, mmcD, scpB, ygfG
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand YXS 6 x YXS
Ligand YXR 6 x YXR
Ligand NI 2 x NI
Ligand K 2 x K
Ligand PG4 1 x PG4
Ligand PEG 2 x PEG
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P212121
Unit cell:
a: 86.927Å b: 114.421Å c: 193.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.159 0.192
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 citation in other articles

Mechanism of 3-Methylglutaconyl CoA Decarboxylase AibA/AibB: Pericyclic Reaction versus Direct Decarboxylation.
Sheng et al. (2020)
5 more