2DHE

CRYSTALLOGRAPHIC ANALYSIS OF THE CATALYTIC MECHANISM OF HALOALKANE DEHALOGENASE

Summary for 2DHE

• Entry DOI: 10.2210/pdb2dhe/pdb
• Descriptor: HALOALKANE DEHALOGENASE, CHLORIDE ION (3 entities in total)
• Functional Keywords: dehalogenase
• Biological source: Xanthobacter autotrophicus
• Total number of polymer chains: 1
• Total formula weight: 35211.25

Authors

Verschueren, K.H.G.,Dijkstra, B.W. (deposition date: 1993-06-24, release date: 1994-08-31, Last modification date: 2024-02-14)

Primary citation

Verschueren, K.H.,Seljee, F.,Rozeboom, H.J.,Kalk, K.H.,Dijkstra, B.W.
Crystallographic analysis of the catalytic mechanism of haloalkane dehalogenase.
Nature, 363:693-698, 1993

PubMed Abstract: Crystal structures of haloalkane dehalogenase were determined in the presence of the substrate 1,2-dichloroethane. At pH 5 and 4 degrees C, substrate is bound in the active site without being converted; warming to room temperature causes the substrate's carbon-chlorine bond to be broken, producing a chloride ion with concomitant alkylation of the active-site residue Asp124. At pH 6 and room temperature the alkylated enzyme is hydrolysed by a water molecule activated by the His289-Asp260 pair in the active site. These results show that catalysis by the dehalogenase proceeds by a two-step mechanism involving an ester intermediate covalently bound at Asp124.

PubMed: 8515812
DOI: 10.1038/363693a0

Experimental method

X-RAY DIFFRACTION (2.13 Å)