Patent ID: 8417498

Claim:
A method of identifying a candidate compound that binds to the active site of Arabidopsis thaliana peptide deformylase polypeptide, the method comprising: a) comparing, by a processor of a computer, the atomic structure of the compound with a three-dimensional structure of a crystalline form of an Arabidopsis thaliana peptide deformylase polypeptide, wherein the crystalline form of the polypeptide consists of the amino acid sequence of SEQ ID NO:1 complexed with Zn 2+ , wherein said crystalline form has the space group symmetry P4 1 2 1 2; unit cell dimensions of a=about 49 angstroms to about 52 angstroms, b=about 49 angstroms to about 52 angstroms, and c=about 143 angstroms to about 147 angstroms; and alpha=beta=gamma=90 degrees; and b) computationally identifying by the processor a candidate compound for an ability to bind to the Arabidopsis thaliana peptide deformylase wherein said computer has the atomic coordinates of said polypeptide stored therein, and wherein said three-dimensional structure is generated from the structure coordinates of Table 1 or homologous structures coordinates for the amino acid residues of SEQ ID NO: 1 comprising a root mean square deviation of non-hydrogen atoms of less than about 0.35 Å when superimposed on the non-hydrogen atom positions of the corresponding atomic coordinates of Table 1.