Computational protocol: Efficient Demyristoylase Activity of SIRT2 Revealed by Kinetic and Structural Studies

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Protocol publication

[…] The structure of SIRT2/BHJH-TM1 was determined by molecular replacement using Phaser as implemented in the CCP4 program package. A monomer of human SIRT2 Apo-form (PDB ID: 3ZGO) was used as the search model. The initial model was refined to an R-factor of 28.74% and R-free of 37.71% by using the maximum likelihood method implemented in REFMAC5 as part of CCP4 program suite and was manually adjusted using COOT. After several cycles of refinement and model building, BHJH-TM1 and water molecules were added. The final model was refined to an R-factor of 22.1% and R-free of 27.3%. The Ramachandran plot shows 91.7% of residues in the most favorable regions, 8.1% in the allowed regions and 0.2% in generously allowed regions. No residue was in disallowed regions. Refinement statistics are summarized in . […]

Pipeline specifications

Software tools CCP4, REFMAC5, Coot
Organisms Homo sapiens
Chemicals NAD