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

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 5 Min, PDB code: 5avt 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 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	221.468, 50.933, 164.123, 90.00, 104.52, 90.00
R / Rfree (%)	26.8 / 25.4

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 5 Min also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	2 atoms
Potassium	(K)	2 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 5 Min (pdb code 5avt). 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 5 Min, PDB code: 5avt:
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 5 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 5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2004 b:74.2 occ:0.85 K A:K2003 0.0 74.2 0.1 OD2 A:ASP811 2.7 71.5 1.0 OG A:SER782 2.7 71.1 1.0 O A:THR779 2.7 66.7 1.0 O A:HOH2101 2.7 76.5 1.0 OD1 A:ASN783 2.8 69.0 1.0 OD1 A:ASP811 3.2 72.5 1.0 CG A:ASP811 3.2 71.0 1.0 N A:ASN783 3.8 70.9 1.0 OE2 A:GLU786 3.8 76.3 1.0 C A:SER782 3.8 70.5 1.0 CG A:ASN783 3.8 70.2 1.0 CB A:SER782 3.9 70.3 1.0 C A:THR779 3.9 66.7 1.0 TL A:TL2005 4.1 74.1 1.0 OE1 A:GLU786 4.2 77.1 1.0 O A:SER782 4.2 70.8 1.0 CA A:ASN783 4.2 71.1 1.0 CA A:SER782 4.3 70.2 1.0 CG2 A:THR779 4.3 66.0 1.0 CD A:GLU786 4.3 76.7 1.0 OD2 A:ASP815 4.4 71.2 1.0 CB A:ASP811 4.5 70.2 1.0 N A:SER782 4.5 69.7 1.0 CB A:ASN783 4.6 71.0 1.0 CA A:THR779 4.7 66.2 1.0 ND2 A:ASN783 4.7 69.6 1.0 N A:LEU780 4.8 67.2 1.0 CB A:PRO333 4.8 71.0 1.0 O A:LEU780 4.8 68.1 1.0 CA A:PRO333 4.9 70.9 1.0 CA A:LEU780 4.9 67.7 1.0 C A:LEU780 5.0 68.0 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 5 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 5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2005 b:74.1 occ:1.00 O A:VAL332 2.8 71.3 1.0 OD2 A:ASP811 2.9 71.5 1.0 OE2 A:GLU786 2.9 76.3 1.0 O A:VAL329 2.9 75.1 1.0 O A:ALA330 3.0 73.6 1.0 OD1 A:ASN783 3.0 69.0 1.0 OE1 A:GLU334 3.3 70.2 1.0 CG A:ASP811 3.5 71.0 1.0 C A:ALA330 3.6 73.8 1.0 OD1 A:ASP811 3.6 72.5 1.0 C A:VAL332 3.7 71.3 1.0 CG2 A:ILE807 3.9 71.7 1.0 CG A:ASN783 4.0 70.2 1.0 CA A:ALA330 4.0 74.1 1.0 CD A:GLU334 4.1 70.1 1.0 CD A:GLU786 4.1 76.7 1.0 C A:VAL329 4.1 75.5 1.0 K A:K2003 4.1 74.2 0.1 TL A:TL2004 4.1 74.2 0.8 CA A:PRO333 4.1 70.9 1.0 OE2 A:GLU334 4.1 71.1 1.0 N A:PRO333 4.2 71.1 1.0 N A:ALA330 4.5 74.7 1.0 N A:VAL332 4.5 72.0 1.0 ND2 A:ASN783 4.6 69.6 1.0 N A:ASN331 4.6 73.2 1.0 CB A:ASP811 4.6 70.2 1.0 N A:GLU334 4.6 70.3 1.0 OE1 A:GLU786 4.6 77.1 1.0 C A:ASN331 4.7 72.5 1.0 CA A:VAL332 4.8 71.6 1.0 C A:PRO333 4.9 70.7 1.0 CA A:ASN783 4.9 71.1 1.0 CB A:ASN783 5.0 71.0 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 5 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 5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2007 b:69.7 occ:0.76 K A:K2006 0.0 69.7 0.2 O A:ALA728 2.7 56.4 1.0 O A:LYS726 2.8 57.4 1.0 OD1 A:ASP747 3.0 65.0 1.0 O A:LEU725 3.0 55.1 1.0 C A:LYS726 3.6 57.1 1.0 C A:ALA728 3.8 56.4 1.0 CG A:ASP747 3.8 63.5 1.0 OD2 A:ASP747 3.9 64.4 1.0 CA A:LYS726 4.0 56.9 1.0 N A:GLY731 4.0 54.7 1.0 C A:LEU725 4.1 55.5 1.0 N A:ALA728 4.3 56.5 1.0 O A:ASP729 4.4 56.6 1.0 C A:ASP729 4.4 56.3 1.0 CA A:ALA728 4.4 56.6 1.0 N A:LYS726 4.5 56.2 1.0 O A:ALA745 4.5 61.9 1.0 CA A:ILE730 4.5 55.7 1.0 N A:ILE730 4.5 55.8 1.0 N A:LYS727 4.5 56.8 1.0 C A:LYS727 4.6 56.7 1.0 C A:ILE730 4.6 55.3 1.0 CB A:ALA728 4.6 56.3 1.0 CA A:GLY731 4.8 54.6 1.0 N A:ASP729 4.8 56.5 1.0 O A:LYS727 5.0 56.7 1.0 CA A:ASP729 5.0 56.5 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