› 4def

X-ray diffraction
1.64Å resolution

Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis

Released:
DOI: 10.2210/pdb4def/pdb
PDB entry 4def coloured by chain, front view.
PDB entry 4def coloured by chain, side view.
PDB entry 4def coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Pegan SD, Rukseree K, Capodagli GC, Baker EA, Krasnykh O, Franzblau SG, Mesecar AD
Biochemistry 52 912-25 (2013)
PMID: 23298222

Function and Biology Details

Reaction catalysed: 
D-fructose 1,6-bisphosphate = glycerone phosphate + D-glyceraldehyde 3-phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162057 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fructose-bisphosphate aldolase Chain: A
Molecule details ›
Chain: A
Length: 349 amino acids
Theoretical weight: 37.28 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WQA3 (Residues: 1-344; Coverage: 100%)
Gene names: MTCY13E10.25c, Rv0363c, fba
Sequence domains: Fructose-bisphosphate aldolase class-II
Structure domains: Aldolase class I

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand NA 1 x NA
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: I222
Unit cell:
a: 60.655Å b: 119.708Å c: 164.826Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.198
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
2 more

4 mentions without citation

A noncompetitive inhibitor for Mycobacterium tuberculosis's class IIa fructose 1,6-bisphosphate aldolase.
Capodagli et al. (2014)
3 more