Magnesium in PDB 7zub: Cryo-Em Structure of the Indirubin-Bound HSP90-XAP2-Ahr Complex

The structure of Cryo-Em Structure of the Indirubin-Bound HSP90-XAP2-Ahr Complex also contains other interesting chemical elements:

Molybdenum

(Mo)

2 atoms

The binding sites of Magnesium atom in the Cryo-Em Structure of the Indirubin-Bound HSP90-XAP2-Ahr Complex (pdb code 7zub). 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 Indirubin-Bound HSP90-XAP2-Ahr Complex, PDB code: 7zub:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of the Indirubin-Bound HSP90-XAP2-Ahr 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 Indirubin-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:20.3 occ:1.00 O4 A:MOO1003 2.0 41.1 1.0 OD1 A:ASN46 2.2 27.4 1.0 O1B A:ADP1001 2.4 27.3 1.0 O1A A:ADP1001 2.9 28.2 1.0 CG A:ASN46 3.1 10.2 1.0 HD22 A:ASN46 3.2 21.2 1.0 ND2 A:ASN46 3.5 15.7 1.0 PB A:ADP1001 3.7 11.4 1.0 O3A A:ADP1001 3.8 27.9 1.0 PA A:ADP1001 3.8 15.9 1.0 MO A:MOO1003 3.9 36.5 1.0 HA3 A:GLY132 3.9 21.8 1.0 OE1 A:GLU42 4.0 40.9 1.0 O A:GLU42 4.0 38.8 1.0 HB2 A:SER45 4.1 20.2 1.0 HA A:ASN46 4.1 19.6 1.0 HA3 A:GLY127 4.1 25.2 1.0 H A:ASN46 4.2 19.7 1.0 HD21 A:ASN46 4.3 20.4 1.0 HB3 A:GLU42 4.3 26.2 1.0 CB A:ASN46 4.3 14.1 1.0 N A:ASN46 4.3 8.5 1.0 HB3 A:SER45 4.4 20.6 1.0 O2A A:ADP1001 4.4 21.9 1.0 O2B A:ADP1001 4.4 27.5 1.0 CA A:ASN46 4.5 8.5 1.0 HA A:GLU42 4.5 26.5 1.0 HA2 A:GLY127 4.6 27.0 1.0 O2 A:MOO1003 4.7 35.6 1.0 H A:GLY132 4.7 23.9 1.0 CB A:SER45 4.7 13.6 1.0 HB2 A:ASN46 4.7 20.8 1.0 CA A:GLY132 4.7 13.4 1.0 O1 A:MOO1003 4.8 35.9 1.0 O3B A:ADP1001 4.8 21.1 1.0 C A:GLU42 4.8 26.6 1.0 CA A:GLY127 4.8 24.2 1.0 OD2 A:ASP49 4.8 35.0 1.0 C A:SER45 4.9 6.0 1.0 H3' A:ADP1001 5.0 26.5 1.0 O3 A:MOO1003 5.0 21.9 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of the Indirubin-Bound HSP90-XAP2-Ahr 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 Indirubin-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:21.2 occ:1.00 O2 B:MOO1003 2.0 49.7 1.0 OD1 B:ASN46 2.0 26.8 1.0 O3B B:ADP1001 2.1 26.1 1.0 O2A B:ADP1001 2.3 16.8 1.0 CG B:ASN46 3.0 12.4 1.0 HD22 B:ASN46 3.2 20.9 1.0 PB B:ADP1001 3.3 4.9 1.0 PA B:ADP1001 3.4 9.5 1.0 O3A B:ADP1001 3.4 21.4 1.0 ND2 B:ASN46 3.5 15.8 1.0 HA3 B:GLY132 3.7 22.6 1.0 MO B:MOO1003 3.7 40.1 1.0 HA B:ASN46 4.1 19.7 1.0 OE1 B:GLU42 4.2 43.8 1.0 O1B B:ADP1001 4.2 29.1 1.0 O B:GLU42 4.2 39.4 1.0 HB2 B:SER45 4.3 24.9 1.0 CB B:ASN46 4.3 16.6 1.0 HD21 B:ASN46 4.3 21.1 1.0 O1A B:ADP1001 4.3 40.6 1.0 HA3 B:GLY127 4.3 26.6 1.0 O3 B:MOO1003 4.3 36.7 1.0 H B:ASN46 4.4 22.0 1.0 O2B B:ADP1001 4.4 26.7 1.0 H B:GLY132 4.5 23.6 1.0 N B:ASN46 4.5 15.8 1.0 HA2 B:GLY127 4.5 28.6 1.0 CA B:ASN46 4.5 10.0 1.0 CA B:GLY132 4.6 17.2 1.0 HB3 B:GLU42 4.6 28.1 1.0 O5' B:ADP1001 4.6 19.7 1.0 H3' B:ADP1001 4.6 25.9 1.0 H B:PHE133 4.7 26.7 1.0 HB3 B:SER45 4.8 24.9 1.0 HB2 B:ASN46 4.8 20.9 1.0 H5'1 B:ADP1001 4.8 25.6 1.0 O1 B:MOO1003 4.8 37.6 1.0 O4 B:MOO1003 4.8 13.9 1.0 HA B:GLU42 4.8 28.2 1.0 CA B:GLY127 4.9 22.7 1.0 OD2 B:ASP49 4.9 42.7 1.0 HB3 B:ASN46 4.9 22.8 1.0 N B:PHE133 4.9 28.3 1.0 C B:GLY132 5.0 17.4 1.0 CB B:SER45 5.0 23.4 1.0 N B:GLY132 5.0 17.8 1.0

J.Gruszczyk, L.Grandvuillemin, J.Lai-Kee-Him, M.Paloni, C.G.Savva, P.Germain, M.Grimaldi, A.Boulahtouf, H.S.Kwong, J.Bous, A.Ancelin, C.Bechara, A.Barducci, P.Balaguer, W.Bourguet. Cryo-Em Structure of the Agonist-Bound HSP90-XAP2-Ahr Cytosolic Complex. Nat Commun V. 13 7010 2022.
ISSN: ESSN 2041-1723
PubMed: 36385050
DOI: 10.1038/S41467-022-34773-W