Magnesium in PDB 9nbw: Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point

The structure of Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Magnesium atom in the Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point (pdb code 9nbw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point, PDB code: 9nbw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:36.7 occ:1.00 O A:HOH701 1.8 39.2 1.0 O A:HOH705 1.8 36.1 1.0 OG1 A:THR341 1.9 42.7 1.0 O2B A:ATP602 1.9 41.3 1.0 O1G A:ATP602 2.8 62.8 1.0 OD2 A:ASP447 3.0 52.5 1.0 CB A:THR341 3.2 32.6 1.0 PB A:ATP602 3.3 35.8 1.0 N A:THR341 3.6 28.4 1.0 O3B A:ATP602 3.6 29.3 1.0 PG A:ATP602 3.8 47.9 1.0 CG A:ASP447 3.8 42.9 1.0 OD1 A:ASP447 3.9 46.2 1.0 CA A:THR341 3.9 27.6 1.0 O1A A:ATP602 3.9 46.6 1.0 OD2 A:ASP364 4.1 56.4 1.0 O1B A:ATP602 4.2 32.0 1.0 CG2 A:THR341 4.3 38.9 1.0 O3A A:ATP602 4.3 29.2 1.0 CB A:LYS340 4.4 29.4 1.0 ND1 A:HIS368 4.4 65.5 1.0 O A:THR448 4.5 43.1 1.0 C A:LYS340 4.5 26.0 1.0 CE A:LYS340 4.7 35.3 1.0 PA A:ATP602 4.7 30.9 1.0 O3G A:ATP602 4.8 57.1 1.0 O2G A:ATP602 4.9 47.5 1.0 CA A:LYS340 4.9 26.4 1.0

Magnesium binding site 2 out of 2 in the Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Closed Conformation of Arsa From L. Ferriphilum in Complex with Mgatp and Arsenite at 1.5 Minute Time Point within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg604 b:38.6 occ:1.00 O A:HOH702 1.8 39.5 1.0 O A:HOH706 1.8 54.6 1.0 OG1 A:THR23 1.8 40.0 1.0 O2B A:ATP601 1.9 32.8 1.0 O1G A:ATP601 3.1 51.0 1.0 CB A:THR23 3.2 30.6 1.0 PB A:ATP601 3.3 32.5 1.0 OD2 A:ASP143 3.4 62.5 1.0 O A:HOH704 3.4 44.6 1.0 O3B A:ATP601 3.8 31.4 1.0 N A:THR23 3.9 24.8 1.0 PG A:ATP601 3.9 42.8 1.0 CA A:THR23 4.0 20.2 1.0 OD1 A:ASN50 4.1 49.3 1.0 CG2 A:THR23 4.1 34.2 1.0 O3A A:ATP601 4.2 34.7 1.0 OD1 A:ASP143 4.2 52.3 1.0 CG A:ASP143 4.2 48.6 1.0 OD2 A:ASP46 4.2 58.6 1.0 O3G A:ATP601 4.2 51.1 1.0 O1B A:ATP601 4.3 28.9 1.0 O A:THR144 4.4 48.9 1.0 CB A:LYS22 4.8 26.5 1.0 O1A A:ATP601 4.9 40.0 1.0 PA A:ATP601 4.9 34.1 1.0 C A:LYS22 4.9 26.9 1.0 O2A A:ATP601 4.9 34.4 1.0 CE A:LYS22 4.9 34.3 1.0

S.Mahajan, A.E.Pall, Y.E.Li, T.L.Stemmler, D.C.Rees, W.M.Clemons Jr.. Nucleotide- and Metalloid-Driven Conformational Changes in the Arsenite Efflux Atpase Arsa Proc.Natl.Acad.Sci.Usa 2025.
ISSN: ESSN 1091-6490
DOI: 10.1073/PNAS.2506440122