› 3b4w

X-ray diffraction
1.8Å resolution

Crystal structure of Mycobacterium tuberculosis aldehyde dehydrogenase complexed with NAD+

Released:
DOI: 10.2210/pdb3b4w/pdb
PDB entry 3b4w coloured by chain, front view.
PDB entry 3b4w coloured by chain, side view.
PDB entry 3b4w coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Entry authors: Moon JH, Lyon AE, Yu M, Hung L-W, Terwilliger T, Kim C-Y, Integrated Center for Structure and Function Innovation (ISFI), TB Structural Genomics Consortium (TBSGC)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161219 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde dehydrogenase domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 495 amino acids
Theoretical weight: 52.17 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P96405 (Residues: 1-487; Coverage: 100%)
Gene name: MT0233
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand SO4 2 x SO4
Ligand NAD 1 x NAD
Ligand GOL 4 x GOL
Ligand EOH 3 x EOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P43212
Unit cell:
a: 135.111Å b: 135.111Å c: 72.543Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.168 0.196
Expression system: Escherichia coli BL21(DE3)

Quick links