Magnesium in PDB 8iwt: HSPCA1 in the Early E2P State

All present enzymatic activity of HSPCA1 in the Early E2P State:
7.2.2.10;

The structure of HSPCA1 in the Early E2P State also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the HSPCA1 in the Early E2P State (pdb code 8iwt). 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 HSPCA1 in the Early E2P State, PDB code: 8iwt:

Magnesium binding site 1 out of 1 in the HSPCA1 in the Early E2P State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of HSPCA1 in the Early E2P State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:3.0 occ:1.00 F1 A:BEF1001 1.8 3.7 1.0 OD1 A:ASP644 2.1 31.9 1.0 OD2 A:ASP350 2.1 2.5 1.0 O A:THR352 2.3 3.0 1.0 BE A:BEF1001 3.1 3.7 1.0 CG A:ASP644 3.2 33.5 1.0 CG A:ASP350 3.3 2.5 1.0 OD2 A:ASP648 3.4 37.4 1.0 C A:THR352 3.4 3.0 1.0 OD2 A:ASP644 3.7 30.4 1.0 CA A:GLY353 4.0 24.7 1.0 N A:GLY645 4.1 28.5 1.0 F3 A:BEF1001 4.1 3.7 1.0 OD1 A:ASP350 4.1 2.5 1.0 F2 A:BEF1001 4.1 3.7 1.0 N A:GLY353 4.2 18.0 1.0 N A:ASP644 4.2 31.9 1.0 CB A:ASP350 4.3 2.5 1.0 CA A:THR352 4.4 3.0 1.0 CB A:ASP644 4.4 32.4 1.0 C A:ASP644 4.4 30.6 1.0 O A:SER186 4.5 32.9 1.0 CB A:THR352 4.5 3.0 1.0 CG A:ASP648 4.6 35.9 1.0 CA A:ASP644 4.6 26.4 1.0 CA A:GLY645 4.6 26.0 1.0 N A:THR352 4.7 3.0 1.0 C A:GLY353 5.0 28.5 1.0 N A:THR354 5.0 23.1 1.0

M.Wu, C.Wu, T.Song, K.Pan, Y.Wang, Z.Liu. Structure and Transport Mechanism of the Human Calcium Pump SPCA1. Cell Res. V. 33 533 2023.
ISSN: ISSN 1001-0602
PubMed: 37258749
DOI: 10.1038/S41422-023-00827-X