A tetrahedral coordination of Zinc during transmembrane transport by P-type Zn2+-ATPases

► Transmembrane transporters contribute to Zn2+ homeostasis in cells. ► Metal coordination is key to specific Zn2+ transmembrane translocation. ► Zn2+ coordination at the PIB-ATPases transmembrane metal binding site was studied. ► A nearest neighbor ligand environment of (O/N)2S2 was found.