Thallium in PDB 8ctv: Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex

The structure of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex, PDB code: 8ctv was solved by B.Lee, K.I.White, M.A.Socolich, M.A.Klureza, R.Henning, V.Srajer, R.Ranganathan, D.Hekstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.88 / 2.10
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	69.123, 69.123, 91.847, 90, 90, 90
R / Rfree (%)	16.8 / 18.1

The structure of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Thallium atom in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex (pdb code 8ctv). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 8 binding sites of Thallium where determined in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex, PDB code: 8ctv:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Thallium binding site 1 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl204 b:13.5 occ:0.25 O A:TYR66 2.8 9.6 1.0 O A:GLY65 3.3 9.7 1.0 C A:TYR66 3.5 9.6 1.0 TL A:TL205 3.5 10.9 0.2 HA A:TYR66 3.7 15.1 1.0 HA3 A:GLY67 3.9 7.5 1.0 CA A:TYR66 4.1 9.9 1.0 N A:GLY67 4.3 9.4 1.0 C A:GLY65 4.4 9.8 1.0 CA A:GLY67 4.6 9.4 1.0 N A:TYR66 4.8 9.9 1.0 H A:GLY67 5.0 13.0 1.0

Thallium binding site 2 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl205 b:10.9 occ:0.25 O A:GLY65 2.8 9.7 1.0 O A:VAL64 3.0 10.7 1.0 TL A:TL206 3.2 17.2 0.2 TL A:TL204 3.5 13.5 0.2 C A:GLY65 3.6 9.8 1.0 HA3 A:GLY65 3.7 14.2 1.0 CA A:GLY65 4.1 10.0 1.0 C A:VAL64 4.1 10.8 1.0 HA A:TYR66 4.2 15.1 1.0 N A:TYR66 4.5 9.9 1.0 N A:GLY65 4.6 10.4 1.0 CA A:TYR66 4.8 9.9 1.0 HA2 A:GLY65 4.9 14.2 1.0

Thallium binding site 3 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl206 b:17.2 occ:0.23 O A:THR63 2.7 11.8 1.0 O A:VAL64 3.1 10.7 1.0 TL A:TL205 3.2 10.9 0.2 TL A:TL207 3.6 19.9 0.2 HA A:VAL64 3.7 10.8 1.0 C A:VAL64 3.7 10.8 1.0 C A:THR63 3.8 12.2 1.0 CA A:VAL64 4.1 11.4 1.0 HA3 A:GLY65 4.4 14.2 1.0 HB A:THR63 4.5 15.2 1.0 N A:VAL64 4.5 12.1 1.0 N A:GLY65 4.7 10.4 1.0 CA A:GLY65 5.0 10.0 1.0 CA A:THR63 5.0 13.5 1.0

Thallium binding site 4 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 4 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl207 b:19.9 occ:0.23 OG1 A:THR63 2.8 15.0 1.0 O A:HOH319 3.1 40.5 0.2 HB A:THR63 3.1 15.2 1.0 O A:THR63 3.2 11.8 1.0 CB A:THR63 3.5 14.1 1.0 TL A:TL206 3.6 17.2 0.2 C A:THR63 4.0 12.2 1.0 CA A:THR63 4.4 13.5 1.0 HG23 A:THR63 4.5 18.9 1.0 CG2 A:THR63 4.7 17.2 1.0 HA A:VAL64 4.8 10.8 1.0 HA A:THR63 5.0 16.0 1.0 O A:THR62 5.0 20.8 1.0

Thallium binding site 5 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 5 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl205 b:38.7 occ:0.25 O B:TYR66 2.6 34.4 1.0 O B:GLY65 3.3 28.3 1.0 C B:TYR66 3.5 33.4 1.0 TL B:TL206 3.5 29.3 0.2 HA3 B:GLY67 3.8 44.6 1.0 HA B:TYR66 3.9 41.5 1.0 CA B:TYR66 4.2 31.3 1.0 N B:GLY67 4.3 34.1 1.0 C B:GLY65 4.4 27.7 1.0 CA B:GLY67 4.5 36.5 1.0 N B:TYR66 4.8 28.9 1.0

Thallium binding site 6 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 6 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl206 b:29.3 occ:0.25 O B:GLY65 2.8 28.3 1.0 O B:VAL64 3.1 22.5 1.0 TL B:TL207 3.2 23.0 0.2 C B:GLY65 3.5 27.7 1.0 TL B:TL205 3.5 38.7 0.2 HA3 B:GLY65 3.6 23.3 1.0 CA B:GLY65 4.0 25.6 1.0 C B:VAL64 4.1 22.1 1.0 HA B:TYR66 4.3 41.5 1.0 N B:TYR66 4.5 28.9 1.0 N B:GLY65 4.6 23.7 1.0 CA B:TYR66 4.8 31.3 1.0 HA2 B:GLY65 4.9 23.3 1.0 O B:TYR66 5.0 34.4 1.0

Thallium binding site 7 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 7 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl207 b:23.0 occ:0.25 O B:THR63 2.8 17.1 1.0 O B:VAL64 3.1 22.5 1.0 TL B:TL206 3.2 29.3 0.2 TL B:TL208 3.6 21.1 0.2 C B:VAL64 3.7 22.1 1.0 HA B:VAL64 3.7 18.4 1.0 C B:THR63 3.9 17.4 1.0 CA B:VAL64 4.2 20.0 1.0 HA3 B:GLY65 4.3 23.3 1.0 HB B:THR63 4.5 17.5 1.0 N B:VAL64 4.5 18.7 1.0 N B:GLY65 4.6 23.7 1.0 CA B:GLY65 4.8 25.6 1.0

Thallium binding site 8 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 8 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl208 b:21.1 occ:0.25 OG1 B:THR63 3.0 12.1 1.0 HB B:THR63 3.0 17.5 1.0 O B:THR63 3.2 17.1 1.0 CB B:THR63 3.5 13.8 1.0 TL B:TL207 3.6 23.0 0.2 C B:THR63 4.0 17.4 1.0 CA B:THR63 4.4 16.3 1.0 HG21 B:THR63 4.5 23.6 1.0 CG2 B:THR63 4.7 12.9 1.0 NA B:NA209 4.7 32.2 0.2 HA B:VAL64 4.7 18.4 1.0 HA B:THR63 4.9 16.7 1.0

B.Lee, K.I.White, M.A.Socolich, M.A.Klureza, R.Henning, V.Srajer, R.Ranganathan, D.Hekstra. Direct Visualization of Electric Field-Stimulated Ion Conduction in A Potassium Channel To Be Published.