› 4hgr

X-ray diffraction
2.05Å resolution

Crystal structure of E56A/K67A mutant of 2-keto-3-deoxy-D-glycero-D-galactonononate-9-phosphate phosphohydrolase from Bacteroides thetaiotaomicron

Released:
DOI: 10.2210/pdb4hgr/pdb
PDB entry 4hgr coloured by chain, front view.
PDB entry 4hgr coloured by chain, side view.
PDB entry 4hgr coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron VPI-5482
Primary publication:
Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Daughtry KD, Huang H, Malashkevich V, Patskovsky Y, Liu W, Ramagopal U, Sauder JM, Burley SK, Almo SC, Dunaway-Mariano D, Allen KN
Biochemistry 52 5372-86 (2013)
PMID: 23848398

Function and Biology Details

Reaction catalysed: 
3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate 9-phosphate + H(2)O = 3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183728 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-keto-3-deoxy-D-glycero-D-galacto-9-phosphonononic acid phosphatase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 164 amino acids
Theoretical weight: 18.25 KDa
Source organism: Bacteroides thetaiotaomicron VPI-5482
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8A712 (Residues: 1-164; Coverage: 100%)
Gene name: BT_1713
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains: HAD superfamily/HAD-like

Ligands and Environments

1 bound ligand:
Ligand MG 8 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P21
Unit cell:
a: 72.367Å b: 116.765Å c: 75.18Å
α: 90° β: 93.09° γ: 90°
R-values:
R R work R free
0.193 0.19 0.241
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

COVID-19: Review on latest available drugs and therapies against SARS-CoV-2. Coagulation and inflammation cross-talking.
Magro G. (2020)
1 more

1 mention without citation

Structural basis for the divergence of substrate specificity and biological function within HAD phosphatases in lipopolysaccharide and sialic acid biosynthesis.
Daughtry et al. (2013)