› 2hj0

X-ray diffraction
2.7Å resolution

Crystal Structure of the Putative Alfa Subunit of Citrate Lyase in Complex with Citrate from Streptococcus mutans, Northeast Structural Genomics Target SmR12 .

Released:
DOI: 10.2210/pdb2hj0/pdb
PDB entry 2hj0 coloured by chain, front view.
PDB entry 2hj0 coloured by chain, side view.
PDB entry 2hj0 coloured by chain, top view.
Source organism: Streptococcus mutans UA159
Entry authors: Forouhar F, Hussain M, Jayaraman S, Shastry R, Janjua H, Cunningham K, Ma LC, Xiao R, Liu J, Baran M, Acton TB, Rost B, Montelione GT, Tong L, Hunt JF, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Reactions catalysed: 
Acetyl-CoA + citrate = acetate + (3S)-citryl-CoA
Citrate = acetate + oxaloacetate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184221 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Citrate lyase alpha chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 519 amino acids
Theoretical weight: 57.2 KDa
Source organism: Streptococcus mutans UA159
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8DUC1 (Residues: 1-511; Coverage: 100%)
Gene names: SMU_1021, cilA
Sequence domains: Citrate lyase, alpha subunit (CitF)
Structure domains: Glutaconate Coenzyme A-transferase

Ligands and Environments

1 bound ligand:
Ligand CIT 2 x CIT
1 modified residue:
Ligand MSE 26 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P31
Unit cell:
a: 130.871Å b: 130.871Å c: 57.802Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.226 0.224 0.266
Expression system: Escherichia coli

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