› 1szq

X-ray diffraction
2.7Å resolution

Crystal Structure of 2-methylcitrate dehydratase

Released:
DOI: 10.2210/pdb1szq/pdb
PDB 1szq coloured by chain and viewed from the front.
PDB 1szq coloured by chain and viewed from the side.
PDB 1szq coloured by chain and viewed from the top.
Source organism: Escherichia coli
Entry authors: Rajashankar KR, Kniewel R, Solorzano V, Lima CD, Burley SK, New York SGX Research Center for Structural Genomics (NYSGXRC)

Function and Biology Details

Reactions catalysed: 
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate = (Z)-but-2-ene-1,2,3-tricarboxylate + H(2)O
(1a) citrate = cis-aconitate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-methylcitrate dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 483 amino acids
Theoretical weight: 54.58 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P77243 (Residues: 1-483; Coverage: 100%)
Gene names: JW0325, b0334, prpD, yahT
Structure domains:

Ligands and Environments

No bound ligands
1 modified residue:
Ligand MSE 24 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P65
Unit cell:
a: 97.579Å b: 97.579Å c: 219.75Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.212 0.204 0.247
Expression system: Escherichia coli

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