Author: Myllykoski, Matti; Kursula, Petri
Title: Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase Document date: 2017_1_31
ID: 0a3okta0_44
Snippet: At the time of these experiments, the bacterial LigT structure had not been solved. The structure was solved here by molecular replacement with PHASER [39] using as a search model the LigT orthologue structure from Thermus thermophilus [40] (PDB entry 1IUH, sequence identity 28%), modified with phenix.sculptor [41] to resemble more closely the target sequence. Refinement was carried out in phenix.refine [42] and rebuilding in COOT [43] . Final st.....
Document: At the time of these experiments, the bacterial LigT structure had not been solved. The structure was solved here by molecular replacement with PHASER [39] using as a search model the LigT orthologue structure from Thermus thermophilus [40] (PDB entry 1IUH, sequence identity 28%), modified with phenix.sculptor [41] to resemble more closely the target sequence. Refinement was carried out in phenix.refine [42] and rebuilding in COOT [43] . Final structures were validated using MolProbity [44] . Coordinates and structure factors were deposited at the PDB under accession codes 5LDI (apo), 5LDJ (phosphate complex), 5LDK (ATP complex), 5LDM (2 0 -AMP complex), 5LDO (3 0 -AMP complex), 5LDP (ATP complex 2), and 5LDQ (NADP + complex).
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