Magnesium in PDB 9dzv: Cryo-Em Structure of the C. Neoformans Lipid Flippase APT1-CDC50 in the E1 State

All present enzymatic activity of Cryo-Em Structure of the C. Neoformans Lipid Flippase APT1-CDC50 in the E1 State:
7.6.2.1;

The binding sites of Magnesium atom in the Cryo-Em Structure of the C. Neoformans Lipid Flippase APT1-CDC50 in the E1 State (pdb code 9dzv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Cryo-Em Structure of the C. Neoformans Lipid Flippase APT1-CDC50 in the E1 State, PDB code: 9dzv:

Magnesium binding site 1 out of 1 in the Cryo-Em Structure of the C. Neoformans Lipid Flippase APT1-CDC50 in the E1 State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of the C. Neoformans Lipid Flippase APT1-CDC50 in the E1 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1601 b:45.2 occ:1.00 OD1 A:ASP1013 2.3 70.2 1.0 O A:THR537 2.3 58.9 1.0 OD2 A:ASP535 2.3 93.2 1.0 CG A:ASP1013 3.2 69.4 1.0 C A:THR537 3.4 58.6 1.0 OD2 A:ASP1013 3.5 71.2 1.0 CG A:ASP535 3.5 89.6 1.0 N A:GLY1014 4.1 74.7 1.0 CB A:ASP535 4.2 80.1 1.0 CA A:THR537 4.3 57.5 1.0 CB A:THR537 4.3 56.6 1.0 N A:GLY538 4.3 51.9 1.0 N A:ASP1013 4.4 54.0 1.0 CA A:GLY538 4.4 48.3 1.0 OD1 A:ASP535 4.4 90.6 1.0 CB A:ASP1013 4.6 62.3 1.0 N A:THR537 4.6 61.3 1.0 CA A:GLY1014 4.7 75.3 1.0 CG2 A:THR537 4.8 57.7 1.0 CA A:ASP1013 4.8 58.2 1.0 C A:ASP1013 4.9 65.9 1.0

X.Chen, H.D.Duan, M.J.Hoy, K.Koteva, M.Spitzer, A.K.Guitor, E.Puumala, G.Hu, B.Yiu, S.Chou, Z.Bian, A.B.Y.Guo, S.Sun, N.Robbins, M.A.Cook, R.Truant, L.T.Macneil, E.D.Brown, J.W.Kronstad, L.E.Cowen, J.Heitman, H.Li, G.D.Wright. Butyrolactol A Is A Phospholipid Flippase Inhibitor That Potentiates the Bioactivity of Caspofungin Against Resistant Fungi. Biorxiv 2025.
ISSN: ISSN 2692-8205
PubMed: 39829750
DOI: 10.1101/2025.01.06.630955