4XYY: Hen Egg-white Lysozyme (hewl) Complexed With Zr(iv)-substituted Keggin-type Polyoxometalate

Successful co-crystallization of a noncovalent complex between hen egg-white lysozyme (HEWL) and the monomeric Zr(IV) -substituted Keggin polyoxometalate (POM) (Zr1 K1), (Et2 NH2 )3 [Zr(PW11 O39 )] (1), has been achieved, and its single-crystal X-ray structure has been determined. The dimeric Zr(IV) -substituted Keggin-type polyoxometalate (Zr1 K2), (Et2 NH2 )10 [Zr(PW11 O39 )2 ] (2), has been previously shown to exhibit remarkable selectivity towards HEWL hydrolysis. The reported X-ray structure shows that the hydrolytically active Zr(IV) -substituted Keggin POM exists as a monomeric species. Prior to hydrolysis, this monomer interacts with HEWL in the vicinity of the previously identified cleavage sites found at Trp28-Val29 and Asn44-Arg45, through water-mediated H-bonding and electrostatic interactions. Three binding sites are observed at the interface of the negatively charged Keggin POM and the positively charged regions of HEWL at: 1) Gly16, Tyr20, and Arg21; 2) Asn44, Arg45, and Asn46; and 3) Arg128.
PDB ID: 4XYYDownload
MMDB ID: 131289
PDB Deposition Date: 2015/2/3
Updated in MMDB: 2015/08
Experimental Method:
x-ray diffraction
Resolution: 1.38  Å
Source Organism:
Similar Structures:
Biological Unit for 4XYY: monomeric; determined by author and by software (PISA)
Molecular Components in 4XYY
Label Count Molecule
Protein (1 molecule)
Lysozyme C(Gene symbol: LYZ)
Molecule annotation
Chemicals (4 molecules)
* Click molecule labels to explore molecular sequence information.

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