Magnesium in PDB 8ffw: Cryo-Em Structure of the Gr-HSP90-FKBP51 Complex

All present enzymatic activity of Cryo-Em Structure of the Gr-HSP90-FKBP51 Complex:
3.6.4.10; 5.2.1.8;

The structure of Cryo-Em Structure of the Gr-HSP90-FKBP51 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-FKBP51 Complex (pdb code 8ffw). 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-FKBP51 Complex, PDB code: 8ffw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of the Gr-HSP90-FKBP51 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-FKBP51 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:107.3 occ:1.00 O2B A:ATP801 1.9 102.2 1.0 O2A A:ATP801 1.9 108.2 1.0 OE1 A:GLN133 2.0 109.0 1.0 OD1 A:ASN51 2.0 111.8 1.0 O3A A:ATP801 2.2 102.7 1.0 PB A:ATP801 2.4 97.7 1.0 PA A:ATP801 2.5 92.2 1.0 CD A:GLN133 2.8 105.9 1.0 O5' A:ATP801 2.8 103.2 1.0 H3' A:ATP801 2.8 124.0 1.0 HE21 A:GLN133 3.0 122.2 1.0 CG A:ASN51 3.1 106.7 1.0 O1B A:ATP801 3.1 107.2 1.0 NE2 A:GLN133 3.2 101.9 1.0 HD21 A:ASN51 3.3 124.7 1.0 ND2 A:ASN51 3.6 103.9 1.0 HG1 A:THR115 3.7 127.8 1.0 C3' A:ATP801 3.8 103.3 1.0 O3B A:ATP801 3.8 95.0 1.0 HB3 A:GLN133 3.8 123.6 1.0 HB2 A:GLN133 3.9 123.6 1.0 O1A A:ATP801 3.9 101.5 1.0 CG A:GLN133 4.0 111.4 1.0 C5' A:ATP801 4.0 109.5 1.0 HE22 A:GLN133 4.1 122.2 1.0 HO3' A:ATP801 4.1 126.0 1.0 O3' A:ATP801 4.1 105.0 1.0 CB A:GLN133 4.1 103.0 1.0 H8 A:ATP801 4.3 120.1 1.0 CB A:ASN51 4.3 96.5 1.0 HB3 A:ASN51 4.4 115.9 1.0 C4' A:ATP801 4.4 103.7 1.0 H5'1 A:ATP801 4.4 131.4 1.0 OG1 A:THR115 4.5 106.5 1.0 HG2 A:GLN133 4.5 133.7 1.0 HA A:ASN51 4.5 116.7 1.0 HD22 A:ASN51 4.6 124.7 1.0 H2' A:ATP801 4.7 121.8 1.0 HG3 A:GLN133 4.8 133.7 1.0 HB A:THR115 4.8 125.5 1.0 H5'2 A:ATP801 4.8 131.4 1.0 O1G A:ATP801 4.9 96.5 1.0 C2' A:ATP801 4.9 101.5 1.0 O A:PHE134 4.9 105.7 1.0 C8 A:ATP801 5.0 100.1 1.0 H A:PHE138 5.0 115.4 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of the Gr-HSP90-FKBP51 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-FKBP51 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:107.0 occ:1.00 OE2 B:GLU47 1.8 110.5 1.0 O1B B:ATP801 1.8 101.7 1.0 O2A B:ATP801 1.8 102.9 1.0 OD1 B:ASN51 2.0 104.7 1.0 PB B:ATP801 2.8 89.9 1.0 O1G B:ATP801 3.0 101.1 1.0 CD B:GLU47 3.0 115.8 1.0 PA B:ATP801 3.0 91.0 1.0 CG B:ASN51 3.1 103.1 1.0 O3B B:ATP801 3.2 95.2 1.0 O3A B:ATP801 3.2 96.9 1.0 HD21 B:ASN51 3.4 123.8 1.0 HA3 B:GLY137 3.4 118.5 1.0 ND2 B:ASN51 3.6 103.2 1.0 HG3 B:GLU47 3.7 142.2 1.0 PG B:ATP801 3.8 76.0 1.0 CG B:GLU47 3.8 118.5 1.0 O5' B:ATP801 3.8 103.7 1.0 OE1 B:GLU47 3.9 113.3 1.0 HA3 B:GLY132 4.0 121.4 1.0 HG2 B:GLU47 4.0 142.2 1.0 HA B:ASN51 4.1 118.1 1.0 O2B B:ATP801 4.2 98.9 1.0 O1A B:ATP801 4.2 102.8 1.0 H B:PHE138 4.2 115.1 1.0 H B:GLY137 4.3 119.2 1.0 CB B:ASN51 4.3 99.6 1.0 CA B:GLY137 4.3 98.7 1.0 CA B:ASN51 4.6 98.5 1.0 N B:PHE138 4.6 95.9 1.0 HB2 B:SER50 4.6 116.5 1.0 H B:ASN51 4.6 117.0 1.0 HD22 B:ASN51 4.6 123.8 1.0 C B:GLY137 4.6 95.6 1.0 HA2 B:GLY132 4.6 121.4 1.0 O3G B:ATP801 4.6 94.2 1.0 N B:GLY137 4.7 99.3 1.0 N B:ASN51 4.7 97.5 1.0 H3' B:ATP801 4.7 124.6 1.0 O B:GLU47 4.7 100.5 1.0 HB3 B:ASN51 4.8 119.5 1.0 CA B:GLY132 4.8 101.2 1.0 O2G B:ATP801 4.8 94.6 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