› 6qhw

X-ray diffraction
1.72Å resolution

Time resolved structural analysis of the full turnover of an enzyme - 4512 ms

Released:
DOI: 10.2210/pdb6qhw/pdb
PDB entry 6qhw coloured by chain, front view.
PDB entry 6qhw coloured by chain, side view.
PDB entry 6qhw coloured by chain, top view.
Source organism: Rhodopseudomonas palustris
Primary publication:
Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Mehrabi P, Schulz EC, Dsouza R, Müller-Werkmeister HM, Tellkamp F, Miller RJD, Pai EF
Science 365 1167-1170 (2019)
PMID: 31515393

Function and Biology Details

Reaction catalysed: 
Haloacetate + H(2)O = glycolate + halide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179995 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fluoroacetate dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 306 amino acids
Theoretical weight: 34.07 KDa
Source organism: Rhodopseudomonas palustris
Expression system: Escherichia coli
UniProt:
  • Canonical: Q6NAM1 (Residues: 1-302; Coverage: 100%)
Gene name: RPA1163
Sequence domains: alpha/beta hydrolase fold

Ligands and Environments

2 bound ligands:
Ligand GOA 1 x GOA
Ligand FAH 1 x FAH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P21
Unit cell:
a: 41.36Å b: 78.66Å c: 83.57Å
α: 90° β: 102.7° γ: 90°
R-values:
R R work R free
0.187 0.185 0.226
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Moving beyond static snapshots: Protein dynamics and the Protein Data Bank.
Miller et al. (2021)
5 more