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Figure 2
SwissDock-predicted SAHA binding mode to CA compared with the crystal structure. (a) CA II is shown in gray surface representation with the SAHA molecule shown in yellow (crystal structure) and magenta (modeling) ball-and-stick representation. (b) The CA IX mimic is shown in blue surface representation with the SAHA molecule shown in green (crystal structure) and magenta (SwissDOCK modeling) ball-and-stick representation. The hydrophobic area around the SAHA alkyl chain and benzene ring is shaded orange in the surface representation. This figure was generated using PyMOL v.2.5.2 (Schrödinger).

Journal logoSTRUCTURAL BIOLOGY
COMMUNICATIONS
ISSN: 2053-230X
Volume 81| Part 9| September 2025| Pages 388-397
https://doi.org/10.1107/S2053230X25007447
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