› 3niw

X-ray diffraction
1.9Å resolution

Crystal structure of a haloacid dehalogenase-like hydrolase from Bacteroides thetaiotaomicron

Released:
DOI: 10.2210/pdb3niw/pdb
PDB entry 3niw coloured by chain, front view.
PDB entry 3niw coloured by chain, side view.
PDB entry 3niw coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron
Entry authors: Bonanno JB, Ramagopal U, Toro R, Rutter M, Bain KT, Wu B, Sauder JM, Burley SK, Almo SC, New York SGX Research Center for Structural Genomics (NYSGXRC)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183640 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Haloacid dehalogenase-like hydrolase Chain: A
Molecule details ›
Chain: A
Length: 279 amino acids
Theoretical weight: 31.62 KDa
Source organism: Bacteroides thetaiotaomicron
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8A2F3 (Residues: 2-269; Coverage: 99%)
Gene name: BT_3352
Sequence domains: haloacid dehalogenase-like hydrolase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand GOL 1 x GOL
1 modified residue:
Ligand MSE 9 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P212121
Unit cell:
a: 43.773Å b: 72.716Å c: 82.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.206
Expression system: Escherichia coli BL21(DE3)

Quick links