Magnesium in PDB 8ray: Para in Complex with Atp

The structure of Para in Complex with Atp, PDB code: 8ray was solved by C.-N.Mais, G.Bange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.72 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.74, 85.78, 97.28, 90, 90, 90
R / Rfree (%)	17.4 / 20

The binding sites of Magnesium atom in the Para in Complex with Atp (pdb code 8ray). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Para in Complex with Atp, PDB code: 8ray:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Para in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Para in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:18.2 occ:1.00 O1G B:ATP302 2.0 20.9 1.0 O B:HOH455 2.1 15.9 1.0 O B:HOH443 2.1 15.9 1.0 O B:HOH513 2.1 17.3 1.0 O2B B:ATP302 2.1 23.1 1.0 OG1 B:THR29 2.1 16.9 1.0 PG B:ATP302 3.2 22.7 1.0 CB B:THR29 3.2 18.1 1.0 PB B:ATP302 3.2 21.9 1.0 O3B B:ATP302 3.3 20.8 1.0 N B:THR29 3.7 17.4 1.0 O B:HOH481 3.8 18.8 1.0 O3G B:ATP302 3.9 22.1 1.0 CA B:THR29 4.0 14.8 1.0 OD2 B:ASP137 4.1 17.1 1.0 O B:HOH445 4.2 17.1 1.0 O1B B:ATP302 4.2 18.7 1.0 O2A B:ATP302 4.3 24.1 1.0 ND2 B:ASN56 4.3 14.3 1.0 OD1 B:ASP137 4.3 19.3 1.0 CB B:LYS28 4.3 17.9 1.0 O3A B:ATP302 4.4 21.4 1.0 O2G B:ATP302 4.4 20.2 1.0 CG2 B:THR29 4.4 18.2 1.0 CE B:LYS28 4.4 18.8 1.0 CG B:ASP137 4.6 18.0 1.0 O B:CYS138 4.6 18.7 1.0 CB B:ASN56 4.6 18.9 1.0 PA B:ATP302 4.7 22.7 1.0 C B:LYS28 4.8 17.8 1.0 O1A B:ATP302 4.9 21.9 1.0 CG B:ASN56 5.0 19.5 1.0 NZ A:LYS23 5.0 16.6 1.0

Magnesium binding site 2 out of 2 in the Para in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Para in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:17.6 occ:1.00 O3G A:ATP302 2.1 22.1 1.0 O A:HOH443 2.1 17.9 1.0 OG1 A:THR29 2.1 17.1 1.0 O2B A:ATP302 2.1 23.1 1.0 O A:HOH427 2.1 16.4 1.0 O A:HOH534 2.1 16.6 1.0 PG A:ATP302 3.2 22.7 1.0 CB A:THR29 3.2 17.6 1.0 PB A:ATP302 3.2 21.9 1.0 O3B A:ATP302 3.3 20.8 1.0 N A:THR29 3.8 17.6 1.0 O A:HOH480 3.8 18.2 1.0 O1G A:ATP302 3.9 20.9 1.0 OD2 A:ASP137 4.0 16.9 1.0 CA A:THR29 4.1 17.6 1.0 O A:HOH468 4.2 18.1 1.0 O1B A:ATP302 4.2 18.7 1.0 ND2 A:ASN56 4.3 15.0 1.0 OD1 A:ASP137 4.3 18.2 1.0 CG2 A:THR29 4.3 16.0 1.0 O1A A:ATP302 4.3 21.9 1.0 O3A A:ATP302 4.4 21.4 1.0 CB A:LYS28 4.4 15.0 1.0 O2G A:ATP302 4.4 20.2 1.0 CE A:LYS28 4.5 16.8 1.0 CB A:ASN56 4.6 16.9 1.0 CG A:ASP137 4.6 18.1 1.0 O A:CYS138 4.6 18.8 1.0 PA A:ATP302 4.7 22.7 1.0 C A:LYS28 4.8 16.8 1.0 O2A A:ATP302 4.9 24.1 1.0 CG A:ASN56 4.9 18.6 1.0 NZ B:LYS23 5.0 17.0 1.0

L.Schnabel, M.Osorio-Valeriano, C.Perez-Borrajero, W.Steinchen, C.-N.Mais, B.Simon, J.Hanssmann, M.Thamm, J.Hennig, G.Bange, M.Thanbichler. Molecular Basis of Para Atpase Activation By the Ctpase Parb During Bacterial Chromosome Segregation Mol.Cell 2025.
ISSN: ISSN 1097-2765