Thallium in PDB 5avw: Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 16.5 Min

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 16.5 Min, PDB code: 5avw 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)	14.98 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	222.476, 50.881, 163.810, 90.00, 104.67, 90.00
R / Rfree (%)	26.5 / 25.7

The structure of Kinetics By X-Ray Crystallography: Tl+-Substitution of Bound K+ in the E2.MGF42-.2K+ Crystal After 16.5 Min also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Magnesium	(Mg)	2 atoms
Potassium	(K)	1 atom

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 16.5 Min (pdb code 5avw). 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 16.5 Min, PDB code: 5avw:
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 16.5 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 16.5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2003 b:70.7 occ:1.00 OD2 A:ASP811 2.7 68.0 1.0 OG A:SER782 2.7 67.5 1.0 O A:THR779 2.7 63.2 1.0 O A:HOH2101 2.7 72.9 1.0 OD1 A:ASN783 2.8 65.4 1.0 OD1 A:ASP811 3.2 69.0 1.0 CG A:ASP811 3.2 67.5 1.0 N A:ASN783 3.8 67.4 1.0 OE2 A:GLU786 3.8 72.8 1.0 C A:SER782 3.8 67.0 1.0 CG A:ASN783 3.8 66.7 1.0 CB A:SER782 3.9 66.7 1.0 C A:THR779 3.9 63.1 1.0 TL A:TL2004 4.1 70.6 1.0 OE1 A:GLU786 4.2 73.5 1.0 O A:SER782 4.2 67.3 1.0 CA A:ASN783 4.2 67.5 1.0 CA A:SER782 4.3 66.7 1.0 CG2 A:THR779 4.3 62.4 1.0 CD A:GLU786 4.3 73.2 1.0 OD2 A:ASP815 4.4 67.7 1.0 CB A:ASP811 4.5 66.7 1.0 N A:SER782 4.5 66.1 1.0 CB A:ASN783 4.6 67.4 1.0 CA A:THR779 4.7 62.6 1.0 ND2 A:ASN783 4.7 66.1 1.0 N A:LEU780 4.8 63.7 1.0 CB A:PRO333 4.8 67.5 1.0 O A:LEU780 4.8 64.6 1.0 CA A:PRO333 4.9 67.3 1.0 CA A:LEU780 4.9 64.2 1.0 C A:LEU780 5.0 64.5 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 16.5 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 16.5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2004 b:70.6 occ:1.00 O A:VAL332 2.8 67.7 1.0 OD2 A:ASP811 2.9 68.0 1.0 OE2 A:GLU786 2.9 72.8 1.0 O A:VAL329 2.9 71.6 1.0 O A:ALA330 3.0 70.0 1.0 OD1 A:ASN783 3.0 65.4 1.0 OE1 A:GLU334 3.2 66.7 1.0 CG A:ASP811 3.5 67.5 1.0 C A:ALA330 3.6 70.3 1.0 OD1 A:ASP811 3.6 69.0 1.0 C A:VAL332 3.7 67.8 1.0 CG2 A:ILE807 3.9 68.1 1.0 CG A:ASN783 4.0 66.7 1.0 CA A:ALA330 4.0 70.6 1.0 CD A:GLU334 4.1 66.5 1.0 CD A:GLU786 4.1 73.2 1.0 C A:VAL329 4.1 72.0 1.0 TL A:TL2003 4.1 70.7 1.0 CA A:PRO333 4.1 67.3 1.0 OE2 A:GLU334 4.1 67.6 1.0 N A:PRO333 4.2 67.5 1.0 N A:ALA330 4.5 71.1 1.0 N A:VAL332 4.5 68.4 1.0 ND2 A:ASN783 4.6 66.1 1.0 N A:ASN331 4.6 69.7 1.0 CB A:ASP811 4.6 66.7 1.0 N A:GLU334 4.6 66.8 1.0 OE1 A:GLU786 4.6 73.5 1.0 C A:ASN331 4.7 69.0 1.0 CA A:VAL332 4.8 68.1 1.0 C A:PRO333 4.9 67.1 1.0 CA A:ASN783 4.9 67.5 1.0 CB A:ASN783 5.0 67.4 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 16.5 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 16.5 Min within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl2006 b:66.2 occ:0.81 K A:K2005 0.0 66.2 0.2 O A:ALA728 2.7 52.9 1.0 O A:LYS726 2.8 53.9 1.0 OD1 A:ASP747 3.0 61.5 1.0 O A:LEU725 3.0 51.5 1.0 C A:LYS726 3.6 53.5 1.0 C A:ALA728 3.8 52.9 1.0 CG A:ASP747 3.8 59.9 1.0 OD2 A:ASP747 3.9 60.9 1.0 CA A:LYS726 4.0 53.3 1.0 N A:GLY731 4.0 51.2 1.0 C A:LEU725 4.1 51.9 1.0 N A:ALA728 4.3 53.0 1.0 O A:ASP729 4.4 53.1 1.0 C A:ASP729 4.4 52.8 1.0 CA A:ALA728 4.4 53.1 1.0 N A:LYS726 4.5 52.6 1.0 O A:ALA745 4.5 58.3 1.0 CA A:ILE730 4.5 52.1 1.0 N A:ILE730 4.5 52.3 1.0 N A:LYS727 4.6 53.2 1.0 C A:LYS727 4.6 53.2 1.0 C A:ILE730 4.6 51.7 1.0 CB A:ALA728 4.6 52.8 1.0 CA A:GLY731 4.8 51.0 1.0 N A:ASP729 4.8 52.9 1.0 O A:LYS727 5.0 53.2 1.0 CA A:ASP729 5.0 53.0 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