Magnesium in PDB 5aw9: Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals

The structure of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals, PDB code: 5aw9 was solved by H.Ogawa, F.Cornelius, A.Hirata, C.Toyoshima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.972, 50.666, 163.066, 90.00, 104.50, 90.00
R / Rfree (%)	21.7 / 26.5

The structure of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Potassium	(K)	3 atoms

The binding sites of Magnesium atom in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals (pdb code 5aw9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals, PDB code: 5aw9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:48.6 occ:1.00 MG A:MF42001 0.0 48.6 1.0 F3 A:MF42001 2.0 55.4 1.0 F4 A:MF42001 2.0 48.5 1.0 F2 A:MF42001 2.0 50.1 1.0 F1 A:MF42001 2.0 49.2 1.0 OD1 A:ASP376 2.5 48.5 1.0 OG1 A:THR617 3.3 50.5 1.0 CG A:ASP376 3.5 51.1 1.0 O A:THR219 3.6 53.3 1.0 N A:GLY618 3.8 44.1 1.0 OD2 A:ASP376 3.9 53.5 1.0 MG A:MG2002 3.9 53.1 1.0 CB A:THR378 3.9 53.4 1.0 N A:THR378 3.9 47.1 1.0 OE1 A:GLU221 3.9 59.4 1.0 CA A:GLY220 4.1 51.0 1.0 O A:HOH2128 4.1 39.8 1.0 O A:GLY220 4.2 53.3 1.0 CB A:THR617 4.2 46.8 1.0 OG1 A:THR378 4.2 54.8 1.0 C A:GLY220 4.3 50.5 1.0 CA A:THR617 4.3 46.3 1.0 ND2 A:ASN720 4.3 60.1 1.0 NZ A:LYS698 4.4 49.8 1.0 N A:LYS377 4.4 46.3 1.0 CA A:THR378 4.4 48.6 1.0 O A:HOH2131 4.5 52.9 1.0 O A:THR378 4.5 50.5 1.0 C A:THR219 4.5 54.1 1.0 N A:ASP619 4.6 46.0 1.0 C A:THR617 4.6 48.3 1.0 CA A:GLY618 4.6 43.6 1.0 N A:GLY220 4.8 53.5 1.0 CB A:ASP376 4.9 48.0 1.0 CD A:GLU221 4.9 59.5 1.0 C A:LYS377 4.9 47.1 1.0 C A:THR378 5.0 48.4 1.0 C A:GLY618 5.0 46.8 1.0

Magnesium binding site 2 out of 2 in the Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Kinetics By X-Ray Crystallography: Native E2.MGF42-.2K+ Crystal For Rb+ Bound Crystals within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2002 b:53.1 occ:1.00 O A:HOH2131 1.9 52.9 1.0 OD1 A:ASP717 1.9 53.2 1.0 F2 A:MF42001 2.0 50.1 1.0 O A:HOH2128 2.0 39.8 1.0 O A:THR378 2.1 50.5 1.0 OD2 A:ASP376 2.3 53.5 1.0 CG A:ASP717 2.9 54.4 1.0 CG A:ASP376 3.2 51.1 1.0 C A:THR378 3.3 48.4 1.0 OD2 A:ASP717 3.3 58.8 1.0 OD1 A:ASP376 3.4 48.5 1.0 MG A:MF42001 3.9 48.6 1.0 O A:GLY220 4.1 53.3 1.0 CA A:THR378 4.1 48.6 1.0 N A:GLY718 4.1 52.9 1.0 OD2 A:ASP721 4.2 52.8 1.0 CB A:THR378 4.2 53.4 1.0 CB A:ASP717 4.3 52.3 1.0 N A:THR378 4.3 47.1 1.0 OG1 A:THR380 4.3 44.3 1.0 N A:GLY379 4.3 48.8 1.0 N A:ASP717 4.4 53.9 1.0 CA A:GLY220 4.5 51.0 1.0 CB A:ASP376 4.5 48.0 1.0 CA A:GLY379 4.5 47.2 1.0 C A:ASP717 4.6 53.4 1.0 CA A:GLY718 4.6 54.6 1.0 F4 A:MF42001 4.6 48.5 1.0 CA A:ASP717 4.6 52.5 1.0 F1 A:MF42001 4.6 49.2 1.0 CG2 A:THR378 4.6 53.0 1.0 C A:GLY220 4.8 50.5 1.0 OD1 A:ASN720 4.8 56.5 1.0 N A:THR380 4.9 51.7 1.0 C A:GLY379 4.9 50.0 1.0

H.Ogawa, F.Cornelius, A.Hirata, C.Toyoshima. Sequential Substitution of K(+) Bound to Na(+),K(+)-Atpase Visualized By X-Ray Crystallography. Nat Commun V. 6 8004 2015.
ISSN: ESSN 2041-1723
PubMed: 26258479
DOI: 10.1038/NCOMMS9004