Magnesium in PDB 8qmo: Cryo-Em Structure of the Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex

The structure of Cryo-Em Structure of the Benzo[A]Pyrene-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 Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex (pdb code 8qmo). 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 Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex, PDB code: 8qmo:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of the Benzo[A]Pyrene-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 Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:20.9 occ:1.00 O1 A:MOO801 2.0 40.7 1.0 OD1 A:ASN46 2.4 22.3 1.0 O1A A:ADP802 2.6 34.3 1.0 O1B A:ADP802 2.9 25.4 1.0 HD22 A:ASN46 3.1 20.3 1.0 CG A:ASN46 3.2 13.6 1.0 O3A A:ADP802 3.3 27.5 1.0 HA3 A:GLY132 3.4 22.0 1.0 ND2 A:ASN46 3.5 20.1 1.0 PA A:ADP802 3.5 7.7 1.0 MO A:MOO801 3.7 39.5 1.0 PB A:ADP802 3.7 4.4 1.0 OE1 A:GLU42 3.7 34.9 1.0 O A:GLU42 4.1 43.9 1.0 HA3 A:GLY127 4.1 26.0 1.0 HB3 A:GLU42 4.2 26.2 1.0 HD21 A:ASN46 4.3 17.7 1.0 O5' A:ADP802 4.3 9.1 1.0 HB2 A:SER45 4.3 18.6 1.0 CA A:GLY132 4.3 16.5 1.0 O2B A:ADP802 4.3 21.8 1.0 H A:GLY132 4.3 22.7 1.0 HA A:ASN46 4.3 17.4 1.0 HA2 A:GLY127 4.3 26.9 1.0 O2 A:MOO801 4.4 28.8 1.0 H A:ASN46 4.4 19.2 1.0 CB A:ASN46 4.5 12.3 1.0 O3 A:MOO801 4.5 31.9 1.0 H A:PHE133 4.5 19.6 1.0 HA A:GLU42 4.5 25.4 1.0 N A:ASN46 4.6 11.1 1.0 HB3 A:SER45 4.7 18.9 1.0 CA A:GLY127 4.7 23.2 1.0 CA A:ASN46 4.7 2.3 1.0 N A:PHE133 4.7 16.2 1.0 C A:GLY132 4.7 18.7 1.0 N A:GLY132 4.8 22.4 1.0 O2A A:ADP802 4.8 18.9 1.0 O4 A:MOO801 4.8 22.6 1.0 HB2 A:ASN46 4.8 18.8 1.0 C A:GLU42 4.9 11.3 1.0 CD A:GLU42 4.9 39.0 1.0 OD2 A:ASP49 4.9 28.6 1.0 CB A:SER45 4.9 13.3 1.0 H3' A:ADP802 5.0 23.6 1.0 HA2 A:GLY132 5.0 20.7 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of the Benzo[A]Pyrene-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 Benzo[A]Pyrene-Bound HSP90-XAP2-Ahr Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg803 b:29.5 occ:1.00 OD1 B:ASN46 2.2 16.9 1.0 O2 B:MOO801 2.2 34.8 1.0 O3B B:ADP802 2.3 27.4 1.0 O2A B:ADP802 2.8 22.9 1.0 CG B:ASN46 3.1 9.8 1.0 HD22 B:ASN46 3.1 18.4 1.0 ND2 B:ASN46 3.4 24.3 1.0 PB B:ADP802 3.5 9.0 1.0 PA B:ADP802 3.7 8.2 1.0 HA3 B:GLY132 3.7 19.7 1.0 O1B B:ADP802 3.8 28.4 1.0 MO B:MOO801 3.9 42.2 1.0 OE1 B:GLU42 4.0 41.9 1.0 O3A B:ADP802 4.0 15.2 1.0 O1A B:ADP802 4.1 30.8 1.0 HA3 B:GLY127 4.1 25.5 1.0 O B:GLU42 4.1 39.7 1.0 HA B:ASN46 4.2 17.1 1.0 HD21 B:ASN46 4.2 19.7 1.0 HB2 B:SER45 4.2 20.8 1.0 HB3 B:GLU42 4.3 27.4 1.0 CB B:ASN46 4.4 5.0 1.0 H B:ASN46 4.4 20.6 1.0 HA2 B:GLY127 4.4 26.8 1.0 H B:GLY132 4.5 21.5 1.0 N B:ASN46 4.5 20.8 1.0 HB3 B:SER45 4.5 22.5 1.0 CA B:GLY132 4.6 7.4 1.0 H B:PHE133 4.6 22.2 1.0 CA B:ASN46 4.6 4.9 1.0 O4 B:MOO801 4.6 25.1 1.0 H3' B:ADP802 4.6 24.1 1.0 HA B:GLU42 4.7 28.8 1.0 OD2 B:ASP49 4.7 38.4 1.0 O2B B:ADP802 4.8 9.8 1.0 O1 B:MOO801 4.8 44.2 1.0 CA B:GLY127 4.8 28.1 1.0 N B:PHE133 4.8 23.1 1.0 HB2 B:ASN46 4.8 16.5 1.0 O3 B:MOO801 4.8 10.8 1.0 CB B:SER45 4.9 22.3 1.0 C B:GLY132 4.9 12.7 1.0 N B:GLY132 4.9 17.9 1.0 C B:GLU42 5.0 21.2 1.0

H.S.Kwong, M.Paloni, L.Grandvuillemin, S.Sirounian, A.Ancelin, J.Lai-Kee-Him, M.Grimaldi, C.Carivenc, C.Lancey, T.J.Ragan, E.L.Hesketh, P.Balaguer, A.Barducci, J.Gruszczyk, W.Bourguet. Structural Insights Into the Activation of Human Aryl Hydrocarbon Receptor By the Environmental Contaminant Benzo[A]Pyrene and Structurally Related Compounds. J.Mol.Biol. 68411 2023.
ISSN: ESSN 1089-8638
PubMed: 38135181
DOI: 10.1016/J.JMB.2023.168411