Figure 4.

Molecular Modeling of the Binding Site of KDM3A with CBA-1

(A) Global view of the binding of CBA-1 to KDM3A. Cartoon model representations are shown of the KDM3A in cyan. CBA-1 is shown in stick model and colored yellow.

(B) Local view of the Mn²⁺-binding site including CBA-1. Residues involved in the binding site are shown with stick model and colored the same color as its protein backbone. Dashed lines represent the coordination with distances shown close to the respective lines.

(C) Shown here is KDM3A with a focus on the hydrophobic interactions between CBA-1 and residues of KDM3A.

(D) Shown here is CBA-1 surrounded by residues of KDM3A that are within 4 Å of the inhibitor.