Magnesium in PDB 8xsr: Cryo-Em Structure of MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State

The binding sites of Magnesium atom in the Cryo-Em Structure of MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State (pdb code 8xsr). 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 MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State, PDB code: 8xsr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State


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 MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:60.1 occ:1.00 OG A:SER375 2.0 57.4 1.0 O1B A:ATP601 2.1 55.8 1.0 NE2 A:GLN416 2.3 62.3 1.0 OE1 A:GLN416 2.3 62.3 1.0 CD A:GLN416 2.4 62.3 1.0 O2G A:ATP601 2.6 55.8 1.0 CB A:SER375 2.8 57.4 1.0 PB A:ATP601 3.5 55.8 1.0 CG A:GLN416 3.6 62.3 1.0 O1A A:ATP601 3.8 55.8 1.0 PG A:ATP601 3.8 55.8 1.0 O3B A:ATP601 3.9 55.8 1.0 CA A:SER375 4.1 57.4 1.0 N A:SER375 4.3 57.4 1.0 CB A:GLN416 4.4 62.3 1.0 OD1 A:ASP496 4.4 61.2 1.0 O3A A:ATP601 4.4 55.8 1.0 OD2 A:ASP496 4.5 61.2 1.0 PA A:ATP601 4.5 55.8 1.0 O2B A:ATP601 4.6 55.8 1.0 O3G A:ATP601 4.7 55.8 1.0 OD2 A:ASP497 4.8 66.6 1.0 O1G A:ATP601 4.8 55.8 1.0 CG A:ASP496 4.9 61.2 1.0 O2A A:ATP601 4.9 55.8 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State


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 MSRV1273C/72C From Mycobacterium Smegmatis in the Atp|Adp-Bound Ifasym-2 State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:64.5 occ:1.00 OG1 B:THR431 2.1 64.6 1.0 O1B B:ADP701 2.1 69.9 1.0 CB B:THR431 3.4 64.6 1.0 PB B:ADP701 3.5 69.9 1.0 OE1 B:GLU553 3.9 65.2 1.0 OD2 B:ASP552 4.0 63.2 1.0 OE1 B:GLN472 4.0 59.2 1.0 O3B B:ADP701 4.2 69.9 1.0 O2B B:ADP701 4.2 69.9 1.0 CG2 B:THR431 4.2 64.6 1.0 N B:THR431 4.3 64.6 1.0 CA B:THR431 4.4 64.6 1.0 OD1 B:ASP552 4.5 63.2 1.0 O3A B:ADP701 4.6 69.9 1.0 CD B:GLU553 4.6 65.2 1.0 O1A B:ADP701 4.6 69.9 1.0 CG B:ASP552 4.7 63.2 1.0

J.Yu, Y.Lan, C.Zhu, Z.Chen, J.Pan, Y.Shi, L.Yang, T.Hu, Y.Gao, Y.Zhao, X.Chen, X.Yang, S.Lu, L.W.Guddat, H.Yang, Z.Rao, J.Li. Structure and Mechanism of A Mycobacterial Isoniazid Efflux Pump MSRV1273C/72C with A Degenerate Nucleotide-Binding Site. Nat Commun V. 16 3969 2025.
ISSN: ESSN 2041-1723
PubMed: 40295516
DOI: 10.1038/S41467-025-59300-5