Potassium in PDB 5aw4: Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min

The structure of Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min, PDB code: 5aw4 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)	14.96 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.821, 50.593, 162.535, 90.00, 104.42, 90.00
R / Rfree (%)	28.6 / 27.5

The structure of Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Rubidium	(Rb)	3 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Potassium atom in the Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min (pdb code 5aw4). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min, PDB code: 5aw4:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 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: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:K2003 b:87.4 occ:0.60 RB A:RB2004 0.0 87.4 0.4 OD2 A:ASP811 2.7 84.7 1.0 OG A:SER782 2.7 84.3 1.0 O A:THR779 2.7 80.0 1.0 O A:HOH2101 2.7 89.7 1.0 OD1 A:ASN783 2.8 82.2 1.0 OD1 A:ASP811 3.2 85.7 1.0 CG A:ASP811 3.2 84.2 1.0 N A:ASN783 3.8 84.1 1.0 OE2 A:GLU786 3.8 89.6 1.0 C A:SER782 3.8 83.7 1.0 CG A:ASN783 3.8 83.4 1.0 CB A:SER782 3.9 83.5 1.0 C A:THR779 3.9 79.9 1.0 K A:K2005 4.1 87.3 0.5 RB A:RB2006 4.1 87.3 0.5 OE1 A:GLU786 4.2 90.3 1.0 O A:SER782 4.2 84.0 1.0 CA A:ASN783 4.2 84.3 1.0 CA A:SER782 4.3 83.4 1.0 CG2 A:THR779 4.3 79.2 1.0 CD A:GLU786 4.3 89.9 1.0 OD2 A:ASP815 4.4 84.4 1.0 CB A:ASP811 4.5 83.5 1.0 N A:SER782 4.5 82.9 1.0 CB A:ASN783 4.6 84.2 1.0 CA A:THR779 4.7 79.4 1.0 ND2 A:ASN783 4.7 82.8 1.0 N A:LEU780 4.8 80.4 1.0 CB A:PRO333 4.8 84.2 1.0 O A:LEU780 4.8 81.3 1.0 CA A:PRO333 4.9 84.1 1.0 CA A:LEU780 4.9 80.9 1.0 C A:LEU780 5.0 81.2 1.0

Potassium binding site 2 out of 3 in the Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 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: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:K2005 b:87.3 occ:0.49 RB A:RB2006 0.0 87.3 0.5 O A:VAL332 2.8 84.5 1.0 OD2 A:ASP811 2.9 84.7 1.0 OE2 A:GLU786 2.9 89.6 1.0 O A:VAL329 2.9 88.3 1.0 O A:ALA330 3.0 86.8 1.0 OD1 A:ASN783 3.0 82.2 1.0 OE1 A:GLU334 3.3 83.4 1.0 CG A:ASP811 3.5 84.2 1.0 C A:ALA330 3.6 87.0 1.0 OD1 A:ASP811 3.6 85.7 1.0 C A:VAL332 3.7 84.5 1.0 CG2 A:ILE807 3.9 84.9 1.0 CG A:ASN783 4.0 83.4 1.0 CA A:ALA330 4.0 87.3 1.0 CD A:GLU334 4.1 83.3 1.0 CD A:GLU786 4.1 89.9 1.0 C A:VAL329 4.1 88.7 1.0 K A:K2003 4.1 87.4 0.6 RB A:RB2004 4.1 87.4 0.4 CA A:PRO333 4.1 84.1 1.0 OE2 A:GLU334 4.1 84.3 1.0 N A:PRO333 4.2 84.3 1.0 N A:ALA330 4.5 87.9 1.0 N A:VAL332 4.5 85.2 1.0 ND2 A:ASN783 4.6 82.8 1.0 N A:ASN331 4.6 86.4 1.0 CB A:ASP811 4.6 83.5 1.0 N A:GLU334 4.6 83.5 1.0 OE1 A:GLU786 4.6 90.3 1.0 C A:ASN331 4.7 85.7 1.0 CA A:VAL332 4.8 84.8 1.0 C A:PRO333 4.9 83.9 1.0 CA A:ASN783 4.9 84.3 1.0 CB A:ASN783 5.0 84.2 1.0

Potassium binding site 3 out of 3 in the Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Kinetics By X-Ray Crystallography: Rb+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 1.5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:K2007 b:83.0 occ:0.45 RB A:RB2008 0.0 83.0 0.6 O A:ALA728 2.7 69.6 1.0 O A:LYS726 2.8 70.6 1.0 OD2 A:ASP747 3.0 78.2 1.0 O A:LEU725 3.0 68.3 1.0 C A:LYS726 3.6 70.3 1.0 C A:ALA728 3.8 69.6 1.0 CG A:ASP747 3.8 76.7 1.0 OD1 A:ASP747 3.9 77.7 1.0 CA A:LYS726 4.0 70.1 1.0 N A:GLY731 4.0 67.9 1.0 C A:LEU725 4.1 68.7 1.0 N A:ALA728 4.3 69.7 1.0 O A:ASP729 4.4 69.8 1.0 C A:ASP729 4.4 69.5 1.0 CA A:ALA728 4.4 69.8 1.0 N A:LYS726 4.5 69.4 1.0 O A:ALA745 4.5 75.1 1.0 CA A:ILE730 4.5 68.9 1.0 N A:ILE730 4.5 69.0 1.0 N A:LYS727 4.6 70.0 1.0 C A:LYS727 4.6 69.9 1.0 C A:ILE730 4.6 68.5 1.0 CB A:ALA728 4.6 69.5 1.0 CA A:GLY731 4.8 67.8 1.0 N A:ASP729 4.8 69.7 1.0 O A:LYS727 5.0 69.9 1.0 CA A:ASP729 5.0 69.8 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