› 2puj

X-ray diffraction
1.57Å resolution

Crystal Structure of the S112A/H265A double mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with its substrate HOPDA

Released:
DOI: 10.2210/pdb2puj/pdb
PDB entry 2puj coloured by chain, front view.
PDB entry 2puj coloured by chain, side view.
PDB entry 2puj coloured by chain, top view.
Source organism: Paraburkholderia xenovorans LB400
Primary publication:
The tautomeric half-reaction of BphD, a C-C bond hydrolase. Kinetic and structural evidence supporting a key role for histidine 265 of the catalytic triad.
Horsman GP, Bhowmik S, Seah SY, Kumar P, Bolin JT, Eltis LD
J Biol Chem 282 19894-904 (2007)
PMID: 17442675

Function and Biology Details

Reaction catalysed: 
2,6-dioxo-6-phenylhexa-3-enoate + H(2)O = benzoate + 2-oxopent-4-enoate
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-155619 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase Chain: A
Molecule details ›
Chain: A
Length: 286 amino acids
Theoretical weight: 31.99 KDa
Source organism: Paraburkholderia xenovorans LB400
Expression system: Escherichia coli
UniProt:
  • Canonical: P47229 (Residues: 1-286; Coverage: 100%)
Gene names: Bxe_C1186, Bxeno_C1120, bphD
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

3 bound ligands:
Ligand NA 1 x NA
Ligand MLI 1 x MLI
Ligand HPZ 1 x HPZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: I4122
Unit cell:
a: 116.805Å b: 116.805Å c: 87.528Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.175 0.202
Expression system: Escherichia coli

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Citations

3 review citations

Biosynthesis, synthesis, and biological activities of pyrrolobenzodiazepines.
Gerratana B. (2012)
2 more