Magnesium in PDB 8ffv: Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex

All present enzymatic activity of Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex:
3.6.4.10;

The structure of Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Magnesium atom in the Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex (pdb code 8ffv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex, PDB code: 8ffv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex


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 Gr-HSP90-FKBP52 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:42.7 occ:1.00 O2A A:ATP801 1.8 33.7 1.0 O1B A:ATP801 1.9 37.6 1.0 OD1 A:ASN51 2.0 42.2 1.0 O3B A:ATP801 2.5 26.8 1.0 PB A:ATP801 2.5 37.7 1.0 PA A:ATP801 2.9 31.0 1.0 O3A A:ATP801 3.0 30.7 1.0 CG A:ASN51 3.1 41.7 1.0 HD21 A:ASN51 3.4 52.7 1.0 O5' A:ATP801 3.6 30.8 1.0 ND2 A:ASN51 3.7 43.9 1.0 HA A:ASN51 4.0 46.6 1.0 O2B A:ATP801 4.0 36.0 1.0 PG A:ATP801 4.1 15.2 1.0 O1A A:ATP801 4.2 32.5 1.0 H3' A:ATP801 4.2 45.5 1.0 HA3 A:GLY132 4.2 48.5 1.0 CB A:ASN51 4.3 39.7 1.0 HA3 A:GLY137 4.3 37.7 1.0 O1G A:ATP801 4.4 25.2 1.0 OE1 A:GLU47 4.4 47.0 1.0 O A:ILE131 4.5 51.6 1.0 CA A:ASN51 4.5 38.8 1.0 HB3 A:ASN51 4.6 47.7 1.0 HD22 A:ASN51 4.7 52.7 1.0 H A:PHE138 4.7 36.8 1.0 H A:GLY137 4.8 37.9 1.0 O2G A:ATP801 4.8 27.4 1.0 C5' A:ATP801 4.8 34.4 1.0 O3G A:ATP801 4.8 27.2 1.0 N A:ASN51 4.8 38.2 1.0 HA2 A:GLY132 4.8 48.5 1.0 HG1 A:THR115 4.9 61.4 1.0 H A:ASN51 4.9 45.9 1.0 H5'1 A:ATP801 4.9 41.3 1.0 HB2 A:SER50 4.9 45.5 1.0 O A:GLU47 4.9 43.3 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of the Gr-HSP90-FKBP52 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:40.4 occ:1.00 O1B B:ATP801 1.8 39.7 1.0 O2A B:ATP801 1.8 38.7 1.0 OD1 B:ASN51 2.0 42.7 1.0 PB B:ATP801 2.9 36.9 1.0 O1G B:ATP801 2.9 35.9 1.0 PA B:ATP801 2.9 34.0 1.0 O3A B:ATP801 3.1 30.5 1.0 CG B:ASN51 3.2 45.6 1.0 O5' B:ATP801 3.6 37.2 1.0 HD21 B:ASN51 3.6 56.4 1.0 O3B B:ATP801 3.7 31.2 1.0 ND2 B:ASN51 3.8 47.0 1.0 PG B:ATP801 3.8 25.6 1.0 HA3 B:GLY137 3.9 37.7 1.0 HA B:ASN51 4.0 52.7 1.0 O2B B:ATP801 4.1 35.9 1.0 O1A B:ATP801 4.2 32.5 1.0 OE1 B:GLU47 4.2 51.6 1.0 CB B:ASN51 4.3 46.2 1.0 HA3 B:GLY132 4.4 60.7 1.0 H3' B:ATP801 4.4 49.3 1.0 O2G B:ATP801 4.4 20.5 1.0 CA B:ASN51 4.5 43.9 1.0 H B:PHE138 4.6 38.0 1.0 O B:GLU47 4.6 46.3 1.0 H B:ASN51 4.7 51.2 1.0 HB3 B:GLU47 4.7 52.6 1.0 O B:ILE131 4.7 54.3 1.0 HB3 B:ASN51 4.7 55.4 1.0 N B:ASN51 4.7 42.6 1.0 H B:GLY137 4.8 37.5 1.0 HD22 B:ASN51 4.8 56.4 1.0 HB2 B:SER50 4.8 48.7 1.0 CA B:GLY137 4.8 31.4 1.0 N B:PHE138 5.0 31.6 1.0

C.M.Noddings, J.L.Johnson, D.A.Agard. Cryo-Em Reveals How HSP90 and Fkbp Immunophilins Co-Regulate the Glucocorticoid Receptor Nature 2023.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41594-023-01128-Y