 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 3]](dp5133fig3mag.jpg)
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Figure 3
Binding interactions between CA and SAHA. (a) The CA II structure is shown as a gray cartoon; the active-site Zn2+ and water molecules are shown as black and red spheres, respectively. Active-site residues and SAHA are shown in yellow ball-and-stick representation. (b) The CA IX mimic structure is shown as a blue cartoon; the active-site Zn2+ and water molecules are shown as black and red spheres, respectively. Active-site residues and SAHA are shown in yellow and green ball-and-stick representation, respectively. Hydrophobic residues around the SAHA alkyl chain and benzene ring are shown in orange ball-and-stick representation. 2mFo − DFc electron density for SAHA is shown as a blue mesh and is contoured to 1.0σ in both panels. Hydrogen bonds are indicated by black dashed lines. Zinc ligands (His94, His96 and His119) and His64 are omitted for clarity. This figure was generated using PyMOL v.2.5.2 (Schrödinger). |
![[Figure 3]](dp5133fig3.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
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