› 4zqm

X-ray diffraction
1.6Å resolution

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with XMP and NAD

Released:
DOI: 10.2210/pdb4zqm/pdb
PDB entry 4zqm coloured by chain, front view.
PDB entry 4zqm coloured by chain, side view.
PDB entry 4zqm coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Makowska-Grzyska M, Kim Y, Gorla SK, Wei Y, Mandapati K, Zhang M, Maltseva N, Modi G, Boshoff HI, Gu M, Aldrich C, Cuny GD, Hedstrom L, Joachimiak A
PLoS One 10 e0138976 (2015)
PMID: 26440283

Function and Biology Details

Reaction catalysed: 
Inosine 5'-phosphate + NAD(+) + H(2)O = xanthosine 5'-phosphate + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Inosine-5'-monophosphate dehydrogenase Chain: A
Molecule details ›
Chain: A
Length: 407 amino acids
Theoretical weight: 41.64 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WKI7 (Residues: 1-125, 253-529; Coverage: 76%)
Gene names: MTCY78.17, Rv3411c, guaB, guaB2
Sequence domains: IMP dehydrogenase / GMP reductase domain
Structure domains: Aldolase class I

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
1 bound ligand:
Ligand XMP 1 x XMP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I4
Unit cell:
a: 88.154Å b: 88.154Å c: 85.512Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.16 0.191
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Tuberculosis Drug Discovery: A Decade of Hit Assessment for Defined Targets.
Oh et al. (2021)
4 more

4 mentions without citation

The Inosine Monophosphate Dehydrogenase, GuaB2, Is a Vulnerable New Bactericidal Drug Target for Tuberculosis.
Singh et al. (2017)
3 more