%0 Journal Article %A Ngo, Ho-Phuong-Thuy %A Ho, Thien-Hoang %A Lee, Inho %A Tran, Huyen-Thi %A Sur, Bookyo %A Kim, Seunghwan %A Kim, Jeong-Gu %A Ahn, Yeh-Jin %A Cha, Sun-Shin %A Kang, Lin-Woo %D 2016 %T Crystal Structures of Peptide Deformylase from Rice Pathogen Xanthomonas oryzae pv. oryzae in Complex with Substrate Peptides, Actinonin, and Fragment Chemical Compounds %U https://acs.figshare.com/articles/journal_contribution/Crystal_Structures_of_Peptide_Deformylase_from_Rice_Pathogen_i_Xanthomonas_oryzae_i_pv_i_oryzae_i_in_Complex_with_Substrate_Peptides_Actinonin_and_Fragment_Chemical_Compounds/3846567 %R 10.1021/acs.jafc.6b02976.s001 %2 https://acs.figshare.com/ndownloader/files/6014217 %K Peptide deformylase %K Substrate Peptides %K substrate-binding pocket %K crystal structures %K XoPDF %K 1.9 Å resolution %K Fragment Chemical Compounds Xanthomonas oryzae pv %K rice cultivation %K PDF inhibitor actinonin-bound structure %K fragment chemical molecules %K fragment chemical compounds %K Xoo PDF %K Peptide Deformylase %K Rice Pathogen Xanthomonas oryzae pv %K formyl group %K fragment chemical-bound structures %K crystal Structures %X Xanthomonas oryzae pv. oryzae (Xoo) causes bacterial blight on rice; this species is one of the most destructive pathogenic bacteria in rice cultivation worldwide. Peptide deformylase (PDF) catalyzes the removal of the N-formyl group from the N-terminus of newly synthesized polypeptides in bacterial cells and is an important target to develop antibacterial agents. We determined crystal structures of Xoo PDF (XoPDF) at up to 1.9 Å resolution, which include apo, two substrate-bound (methionine-alanine or methionine-alanine-serine), an inhibitor-bound (actinonin), and six fragment chemical-bound structures. Six fragment chemical compounds were bound in the substrate-binding pocket. The fragment chemical-bound structures were compared to the natural PDF inhibitor actinonin-bound structure. The fragment chemical molecules will be useful to design an inhibitor specific to XoPDF and a potential pesticide against Xoo. %I ACS Publications