› 4adl

X-ray diffraction
2.2Å resolution

Crystal structures of Rv1098c in complex with malate

Released:
DOI: 10.2210/pdb4adl/pdb
PDB entry 4adl coloured by chain, front view.
PDB entry 4adl coloured by chain, side view.
PDB entry 4adl coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Conformational changes upon ligand binding in the essential class II fumarase Rv1098c from Mycobacterium tuberculosis.
Mechaly AE, Haouz A, Miras I, Barilone N, Weber P, Shepard W, Alzari PM, Bellinzoni M
FEBS Lett 586 1606-11 (2012)
PMID: 22561013

Function and Biology Details

Reaction catalysed: 
(S)-malate = fumarate + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161839 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fumarate hydratase class II Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 495 amino acids
Theoretical weight: 52.72 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WN93 (Residues: 1-473; Coverage: 100%)
Gene names: MTV017.51c, Rv1098c, fum, fumC
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand LMR 2 x LMR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2
Unit cell:
a: 271.53Å b: 98.13Å c: 90Å
α: 90° β: 101.34° γ: 90°
R-values:
R R work R free
0.155 0.154 0.178
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Priming ammonia lyases and aminomutases for industrial and therapeutic applications.
Heberling et al. (2013)
2 more

1 mention without citation

Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site.
Kasbekar et al. (2016)