› 3hq1

X-ray diffraction
1.7Å resolution

Crystal structure of Mycobacterium tuberculosis LeuA complexed with citrate and Mn2+

Released:
DOI: 10.2210/pdb3hq1/pdb
PDB entry 3hq1 coloured by chain, front view.
PDB entry 3hq1 coloured by chain, side view.
PDB entry 3hq1 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Koon N, Squire CJ, Baker EN

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + 3-methyl-2-oxobutanoate + H(2)O = (2S)-2-isopropylmalate + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162062 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-isopropylmalate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 644 amino acids
Theoretical weight: 70.19 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WQB3 (Residues: 1-644; Coverage: 100%)
Gene names: MTV025.058, Rv3710, leuA
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand MN 2 x MN
Ligand CL 2 x CL
Ligand GOL 3 x GOL
Ligand FLC 1 x FLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 54.361Å b: 154.803Å c: 69.115Å
α: 90° β: 98.04° γ: 90°
R-values:
R R work R free
0.172 0.17 0.204
Expression system: Escherichia coli

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