Thallium in PDB 5avq: Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min.

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min., PDB code: 5avq 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 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	223.946, 51.016, 164.039, 90.00, 105.01, 90.00
R / Rfree (%)	25.8 / 26.4

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min. also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	2 atoms
Potassium	(K)	3 atoms

The binding sites of Thallium atom in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min. (pdb code 5avq). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 3 binding sites of Thallium where determined in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min., PDB code: 5avq:
Jump to Thallium binding site number: 1; 2; 3;

Thallium binding site 1 out of 3 in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min.


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min. within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2004 b:64.3 occ:0.40 K A:K2003 0.0 64.3 0.6 OD2 A:ASP811 2.7 61.6 1.0 OG A:SER782 2.7 61.1 1.0 O A:THR779 2.7 56.8 1.0 O A:HOH2101 2.7 66.5 1.0 OD1 A:ASN783 2.8 59.0 1.0 OD1 A:ASP811 3.2 62.6 1.0 CG A:ASP811 3.2 61.1 1.0 N A:ASN783 3.8 61.0 1.0 OE2 A:GLU786 3.8 66.4 1.0 C A:SER782 3.8 60.6 1.0 CG A:ASN783 3.8 60.2 1.0 CB A:SER782 3.9 60.3 1.0 C A:THR779 3.9 56.7 1.0 K A:K2005 4.1 64.2 0.4 TL A:TL2006 4.1 64.2 0.6 OE1 A:GLU786 4.2 67.1 1.0 O A:SER782 4.2 60.9 1.0 CA A:ASN783 4.2 61.1 1.0 CA A:SER782 4.3 60.3 1.0 CG2 A:THR779 4.3 56.0 1.0 CD A:GLU786 4.3 66.8 1.0 OD2 A:ASP815 4.4 61.2 1.0 CB A:ASP811 4.5 60.3 1.0 N A:SER782 4.5 59.7 1.0 CB A:ASN783 4.6 61.0 1.0 CA A:THR779 4.7 56.2 1.0 ND2 A:ASN783 4.7 59.7 1.0 N A:LEU780 4.8 57.3 1.0 CB A:PRO333 4.8 61.1 1.0 O A:LEU780 4.8 58.2 1.0 CA A:PRO333 4.9 60.9 1.0 CA A:LEU780 4.9 57.8 1.0 C A:LEU780 5.0 58.1 1.0

Thallium binding site 2 out of 3 in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min.


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min. within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2006 b:64.2 occ:0.58 K A:K2005 0.0 64.2 0.4 O A:VAL332 2.8 61.3 1.0 OD2 A:ASP811 2.9 61.6 1.0 OE2 A:GLU786 2.9 66.4 1.0 O A:VAL329 2.9 65.2 1.0 O A:ALA330 3.0 63.6 1.0 OD1 A:ASN783 3.0 59.0 1.0 OE1 A:GLU334 3.2 60.3 1.0 CG A:ASP811 3.5 61.1 1.0 C A:ALA330 3.6 63.9 1.0 OD1 A:ASP811 3.6 62.6 1.0 C A:VAL332 3.7 61.4 1.0 CG2 A:ILE807 3.9 61.7 1.0 CG A:ASN783 4.0 60.2 1.0 CA A:ALA330 4.0 64.2 1.0 CD A:GLU334 4.1 60.1 1.0 CD A:GLU786 4.1 66.8 1.0 C A:VAL329 4.1 65.5 1.0 K A:K2003 4.1 64.3 0.6 TL A:TL2004 4.1 64.3 0.4 CA A:PRO333 4.1 60.9 1.0 OE2 A:GLU334 4.1 61.1 1.0 N A:PRO333 4.2 61.1 1.0 N A:ALA330 4.5 64.7 1.0 N A:VAL332 4.5 62.0 1.0 ND2 A:ASN783 4.6 59.7 1.0 N A:ASN331 4.6 63.2 1.0 CB A:ASP811 4.6 60.3 1.0 N A:GLU334 4.6 60.4 1.0 OE1 A:GLU786 4.6 67.1 1.0 C A:ASN331 4.7 62.6 1.0 CA A:VAL332 4.8 61.6 1.0 C A:PRO333 4.9 60.7 1.0 CA A:ASN783 4.9 61.1 1.0 CB A:ASN783 5.0 61.0 1.0

Thallium binding site 3 out of 3 in the Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min.


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 0.75 Min. within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2008 b:59.8 occ:0.57 K A:K2007 0.0 59.8 0.4 O A:ALA728 2.7 46.4 1.0 O A:LYS726 2.8 47.5 1.0 OD1 A:ASP747 3.0 55.0 1.0 O A:LEU725 3.0 45.1 1.0 C A:LYS726 3.6 47.1 1.0 C A:ALA728 3.8 46.5 1.0 CG A:ASP747 3.8 53.5 1.0 OD2 A:ASP747 3.9 54.5 1.0 CA A:LYS726 4.0 46.9 1.0 N A:GLY731 4.0 44.8 1.0 C A:LEU725 4.1 45.5 1.0 N A:ALA728 4.3 46.6 1.0 O A:ASP729 4.4 46.7 1.0 C A:ASP729 4.4 46.3 1.0 CA A:ALA728 4.4 46.6 1.0 N A:LYS726 4.5 46.2 1.0 O A:ALA745 4.5 51.9 1.0 CA A:ILE730 4.5 45.7 1.0 N A:ILE730 4.5 45.9 1.0 N A:LYS727 4.6 46.8 1.0 C A:LYS727 4.6 46.8 1.0 C A:ILE730 4.6 45.3 1.0 CB A:ALA728 4.6 46.4 1.0 CA A:GLY731 4.8 44.6 1.0 N A:ASP729 4.8 46.5 1.0 O A:LYS727 5.0 46.8 1.0 CA A:ASP729 5.0 46.6 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