› 1szq

X-ray diffraction
2.7Å resolution

Crystal Structure of 2-methylcitrate dehydratase

Released:
DOI: 10.2210/pdb1szq/pdb
PDB entry 1szq coloured by chain, front view.
PDB entry 1szq coloured by chain, side view.
PDB entry 1szq coloured by chain, top view.
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: 
(1a) citrate = cis-aconitate + H(2)O
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate = (Z)-but-2-ene-1,2,3-tricarboxylate + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160140 (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
Sequence domains:
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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