Fig. 1
From: Functional analysis of the secondary HIV-1 capsid binding site in the host protein cyclophilin A
Proposed structural model of the interaction of CypA with the hexameric CA lattice. a Top view of two neighboring hexamers (PDB: 4XFX) showing the location of CypA (cyan asterisk) bridging between two CA molecules. The CA subunits that are bridged by binding of CypA are highlighted in magenta. b Side view of a structural model obtained from all-atom molecular dynamics (MD) simulations of the CypA-CA complex in a helical assembly (PDB: 5FJB). CypA (cyan) binds to the CypA loops of two CA subunits (magenta, only the N-terminal domains are shown) via its canonical binding site (left) and proposed non-canonical binding site (right), respectively. Residues involved in binding at the non-canonical binding site and the cysteine residue (C51) used for site-specific labeling are indicated