Potassium in PDB 5aw1: Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min, PDB code: 5aw1 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)	14.99 / 3.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	222.035, 50.855, 163.971, 90.00, 104.02, 90.00
R / Rfree (%)	29.7 / 30.5

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	2 atoms
Thallium	(Tl)	3 atoms

The binding sites of Potassium atom in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min (pdb code 5aw1). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min, PDB code: 5aw1:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:K2003 b:0.1 occ:0.02 TL A:TL2004 0.0 0.1 1.0 OD2 A:ASP811 2.7 0.4 1.0 OG A:SER782 2.7 0.9 1.0 O A:THR779 2.7 0.6 1.0 O A:HOH2101 2.7 0.3 1.0 OD1 A:ASN783 2.8 0.8 1.0 OD1 A:ASP811 3.2 0.4 1.0 CG A:ASP811 3.2 0.9 1.0 N A:ASN783 3.8 0.8 1.0 OE2 A:GLU786 3.8 0.2 1.0 C A:SER782 3.8 0.4 1.0 CG A:ASN783 3.8 0.1 1.0 CB A:SER782 3.9 0.1 1.0 C A:THR779 3.9 0.5 1.0 TL A:TL2005 4.1 0.0 1.0 OE1 A:GLU786 4.2 0.9 1.0 O A:SER782 4.2 0.7 1.0 CA A:ASN783 4.2 0.9 1.0 CA A:SER782 4.3 0.1 1.0 CG2 A:THR779 4.3 0.8 1.0 CD A:GLU786 4.3 0.6 1.0 OD2 A:ASP815 4.4 0.1 1.0 CB A:ASP811 4.5 0.1 1.0 N A:SER782 4.5 0.6 1.0 CB A:ASN783 4.6 0.8 1.0 CA A:THR779 4.7 0.0 1.0 ND2 A:ASN783 4.7 0.5 1.0 N A:LEU780 4.8 0.1 1.0 CB A:PRO333 4.8 0.9 1.0 O A:LEU780 4.8 1.0 1.0 CA A:PRO333 4.9 0.8 1.0 CA A:LEU780 4.9 0.6 1.0 C A:LEU780 5.0 0.9 1.0

Potassium binding site 2 out of 2 in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 85 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:K2006 b:0.6 occ:0.34 TL A:TL2007 0.0 0.6 0.7 O A:ALA728 2.7 0.3 1.0 O A:LYS726 2.8 0.3 1.0 OD1 A:ASP747 3.0 0.9 1.0 O A:LEU725 3.0 1.0 1.0 C A:LYS726 3.6 0.9 1.0 C A:ALA728 3.8 0.3 1.0 CG A:ASP747 3.8 0.3 1.0 OD2 A:ASP747 3.9 0.3 1.0 CA A:LYS726 4.0 0.7 1.0 N A:GLY731 4.0 0.6 1.0 C A:LEU725 4.1 0.3 1.0 N A:ALA728 4.3 0.4 1.0 O A:ASP729 4.4 0.5 1.0 C A:ASP729 4.4 0.2 1.0 CA A:ALA728 4.4 0.5 1.0 N A:LYS726 4.5 0.0 1.0 O A:ALA745 4.5 0.7 1.0 CA A:ILE730 4.5 0.6 1.0 N A:ILE730 4.5 0.7 1.0 N A:LYS727 4.6 0.7 1.0 C A:LYS727 4.6 0.6 1.0 C A:ILE730 4.6 0.1 1.0 CB A:ALA728 4.6 0.2 1.0 CA A:GLY731 4.8 0.4 1.0 N A:ASP729 4.8 0.3 1.0 O A:LYS727 5.0 0.6 1.0 CA A:ASP729 5.0 0.4 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