A 3D-Predicted Structure of the Amine Oxidase Domain of Lysyl Oxidase-Like 2.

ABSTRACT: Lysyl oxidase-like 2 (LOXL2) has been recognized as an attractive drug target for anti-fibrotic and anti-tumor therapies. However, the structure-based drug design of LOXL2 has been very challenging due to the lack of structural information of the catalytically-competent LOXL2. In this study; we generated a 3D-predicted structure of the C-terminal amine oxidase domain of LOXL2 containing the lysine tyrosylquinone (LTQ) cofactor from the 2.4Å crystal structure of the Zn²⁺-bound precursor (lacking LTQ; PDB:5ZE3); this was achieved by molecular modeling and molecular dynamics simulation based on our solution studies of a mature LOXL2 that is inhibited by 2-hydrazinopyridine. The overall structures of the 3D-modeled mature LOXL2 and the Zn²⁺-bound precursor are very simila

SUBMITTER: Meier AA 

PROVIDER: S-EPMC9659206 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature