1IDU

CRYSTAL STRUCTURE OF THE PEROXIDE FORM OF THE VANADIUM-CONTAINING CHLOROPEROXIDASE FROM CURVULARIA INAEQUALIS

Summary for 1IDU

• Entry DOI: 10.2210/pdb1idu/pdb
• Related: 1IDQ 1VNC 1VNE 1VNF 1VNG 1VNH 1VNS
• Descriptor: VANADIUM CHLOROPEROXIDASE, VANADATE ION (3 entities in total)
• Functional Keywords: two four-helix bundles, peroxide derivative, oxidoreductase
• Biological source: Curvularia inaequalis
• Cellular location: Secreted: P49053
• Total number of polymer chains: 1
• Total formula weight: 67718.34

Authors

Messerschmidt, A.,Prade, L.,Wever, R. (deposition date: 2001-04-05, release date: 2001-04-11, Last modification date: 2023-08-09)

Primary citation

Messerschmidt, A.,Prade, L.,Wever, R.
Implications for the catalytic mechanism of the vanadium-containing enzyme chloroperoxidase from the fungus Curvularia inaequalis by X-ray structures of the native and peroxide form.
Biol.Chem., 378:309-315, 1997

PubMed Abstract: Implications for the catalytic mechanism of the vanadium-containing chloroperoxidase from the fungus Curvularia inaequalis have been obtained from the crystal structures of the native and peroxide forms of the enzyme. The X-ray structures have been solved by difference Fourier techniques using the atomic model of the azide chloroperoxidase complex. The 2.03 A crystal structure (R = 19.7%) of the native enzyme reveals the geometry of the intact catalytic vanadium center. The vanadium is coordinated by four non-protein oxygen atoms and one nitrogen (NE2) atom from histidine 496 in a trigonal bipyramidal fashion. Three oxygens are in the equatorial plane and the fourth oxygen and the nitrogen are at the apexes of the bipyramid. In the 2.24 A crystal structure (R = 17.7%) of the peroxide derivate the peroxide is bound to the vanadium in an eta2-fashion after the release of the apical oxygen ligand. The vanadium is coordinated also by 4 non-protein oxygen atoms and one nitrogen (NE2) from histidine 496. The coordination geometry around the vanadium is that of a distorted tetragonal pyramid with the two peroxide oxygens, one oxygen and the nitrogen in the basal plane and one oxygen in the apical position. A mechanism for the catalytic cycle has been proposed based on these X-ray structures and kinetic data.

PubMed: 9165086

Experimental method

X-RAY DIFFRACTION (2.24 Å)