› 3ce6

X-ray diffraction
1.6Å resolution

Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and adenosine

Released:
DOI: 10.2210/pdb3ce6/pdb
PDB entry 3ce6 coloured by chain, front view.
PDB entry 3ce6 coloured by chain, side view.
PDB entry 3ce6 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Reddy MC, Kuppan G, Shetty ND, Owen JL, Ioerger TR, Sacchettini JC
Protein Sci 17 2134-44 (2008)
PMID: 18815415

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161521 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenosylhomocysteinase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 494 amino acids
Theoretical weight: 54.26 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WGV3 (Residues: 2-495; Coverage: 100%)
Gene names: MTCY20B11.23c, Rv3248c, ahcY, sahH
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ADN 4 x ADN
Ligand NAD 4 x NAD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 97.04Å b: 112.133Å c: 100.234Å
α: 90° β: 92.41° γ: 90°
R-values:
R R work R free
0.202 0.2 0.238
Expression system: Escherichia coli

Quick links

Citations

3 review citations

New targets and inhibitors of mycobacterial sulfur metabolism.
Paritala et al. (2013)
2 more

8 mentions without citation

Phylogenetic framework and molecular signatures for the main clades of the phylum Actinobacteria.
Gao et al. (2012)
7 more