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

The structure of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex, PDB code: 8ctx 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)	34.23 / 1.99
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.461, 68.461, 90.389, 90, 90, 90
R / Rfree (%)	21.4 / 25.4

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

Potassium

(K)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Thallium atom in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex (pdb code 8ctx). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 11 binding sites of Thallium where determined in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex, PDB code: 8ctx:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Thallium binding site 1 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl201 b:38.5 occ:0.11 O A:TYR66 2.7 31.1 1.0 O A:GLY65 3.3 33.5 1.0 C A:TYR66 3.4 46.5 1.0 HA A:TYR66 3.6 46.5 1.0 K A:K207 3.7 76.6 0.2 TL A:TL202 3.7 34.6 0.1 HA3 A:GLY67 3.9 47.5 1.0 CA A:TYR66 4.1 38.7 1.0 N A:GLY67 4.2 35.6 1.0 C A:GLY65 4.4 42.2 1.0 CA A:GLY67 4.6 39.5 1.0 N A:TYR66 4.8 38.7 1.0 TL A:TL206 4.8 65.0 0.2 H A:GLY67 4.9 42.8 1.0

Thallium binding site 2 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl202 b:34.6 occ:0.05 O A:GLY65 2.7 33.5 1.0 O A:VAL64 2.8 34.5 1.0 TL A:TL203 3.2 32.2 0.1 HA3 A:GLY65 3.5 39.6 1.0 C A:GLY65 3.5 42.2 1.0 TL A:TL201 3.7 38.5 0.1 C A:VAL64 3.9 33.3 1.0 CA A:GLY65 3.9 33.0 1.0 HA A:TYR66 4.2 46.5 1.0 N A:GLY65 4.4 31.2 1.0 N A:TYR66 4.5 38.7 1.0 CA A:TYR66 4.8 38.7 1.0 HA2 A:GLY65 4.8 39.6 1.0

Thallium binding site 3 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl203 b:32.2 occ:0.05 O A:THR63 2.6 32.7 1.0 O A:VAL64 2.7 34.5 1.0 TL A:TL202 3.2 34.6 0.1 TL A:TL204 3.2 32.3 0.1 C A:VAL64 3.5 33.3 1.0 HA A:VAL64 3.6 32.4 1.0 C A:THR63 3.8 31.5 1.0 CA A:VAL64 4.0 26.9 1.0 HA3 A:GLY65 4.3 39.6 1.0 N A:VAL64 4.4 34.1 1.0 HB A:THR63 4.5 40.5 1.0 N A:GLY65 4.5 31.2 1.0 CA A:GLY65 4.8 33.0 1.0 CA A:THR63 4.9 29.8 1.0 HA A:THR63 5.0 35.8 1.0

Thallium binding site 4 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl204 b:32.3 occ:0.05 O A:THR63 2.7 32.7 1.0 OG1 A:THR63 2.9 33.9 1.0 HB A:THR63 3.0 40.5 1.0 TL A:TL203 3.2 32.2 0.1 CB A:THR63 3.4 33.7 1.0 C A:THR63 3.7 31.5 1.0 CA A:THR63 4.2 29.8 1.0 HA A:VAL64 4.5 32.4 1.0 HG23 A:THR63 4.7 41.8 1.0 N A:VAL64 4.7 34.1 1.0 HA A:THR63 4.7 35.8 1.0 CG2 A:THR63 4.7 34.8 1.0

Thallium binding site 5 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl205 b:68.1 occ:0.24 O A:ASP68 2.7 44.5 1.0 CE1 A:PHE69 3.2 47.9 1.0 HE1 A:PHE69 3.3 57.6 1.0 CD1 A:PHE69 3.4 55.3 1.0 CZ A:PHE69 3.5 43.4 1.0 HD1 A:PHE69 3.6 66.4 1.0 C A:ASP68 3.7 53.2 1.0 HZ A:PHE69 3.9 52.1 1.0 CG A:PHE69 3.9 53.7 1.0 HB2 A:ASP68 4.0 70.6 1.0 HA A:PHE69 4.0 54.0 1.0 CE2 A:PHE69 4.0 49.6 1.0 CD2 A:PHE69 4.2 48.1 1.0 N A:PHE69 4.4 46.9 1.0 CA A:PHE69 4.6 45.0 1.0 HE2 A:PHE69 4.6 59.5 1.0 CA A:ASP68 4.7 51.9 1.0 HA A:ASP68 4.7 62.3 1.0 CB A:ASP68 4.7 58.8 1.0 CB A:PHE69 4.8 42.7 1.0 HD2 A:PHE69 4.9 57.8 1.0

Thallium binding site 6 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Tl206 b:65.0 occ:0.16 O A:HOH308 2.4 79.9 1.0 K A:K207 2.8 76.6 0.2 O A:TYR66 3.0 31.1 1.0 HA A:ASP68 3.4 62.3 1.0 C A:GLY67 3.5 58.6 1.0 N A:ASP68 3.5 44.7 1.0 O A:GLY67 3.7 43.7 1.0 HB3 A:ASP68 3.8 70.6 1.0 H A:ASP68 3.8 53.7 1.0 HA3 A:GLY67 3.9 47.5 1.0 C A:TYR66 3.9 46.5 1.0 CA A:ASP68 3.9 51.9 1.0 K A:K208 4.0 95.0 0.2 CA A:GLY67 4.1 39.5 1.0 HB3 A:TYR66 4.3 36.5 1.0 CB A:ASP68 4.4 58.8 1.0 N A:GLY67 4.4 35.6 1.0 TL A:TL201 4.8 38.5 0.1 CB A:TYR66 5.0 30.4 1.0 CA A:TYR66 5.0 38.7 1.0 HB2 A:ASP68 5.0 70.6 1.0

Thallium binding site 7 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl201 b:57.3 occ:0.10 O B:TYR66 2.6 67.6 1.0 O B:GLY65 3.0 55.2 1.0 C B:TYR66 3.4 65.2 1.0 TL B:TL202 3.6 48.5 0.0 HA3 B:GLY67 3.7 83.8 1.0 HA B:TYR66 3.8 70.6 1.0 C B:GLY65 4.2 49.2 1.0 CA B:TYR66 4.2 58.8 1.0 N B:GLY67 4.2 57.6 1.0 CA B:GLY67 4.4 69.8 1.0 N B:TYR66 4.7 47.8 1.0 O B:HOH303 4.8 76.3 1.0 HA2 B:GLY67 4.9 83.8 1.0 H B:GLY67 5.0 69.1 1.0

Thallium binding site 8 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,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) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl202 b:48.5 occ:0.04 O B:GLY65 2.5 55.2 1.0 O B:VAL64 2.7 51.1 1.0 TL B:TL203 3.3 45.7 0.1 HA3 B:GLY65 3.3 52.6 1.0 C B:GLY65 3.4 49.2 1.0 TL B:TL201 3.6 57.3 0.1 CA B:GLY65 3.7 43.8 1.0 C B:VAL64 3.8 44.1 1.0 N B:GLY65 4.3 47.2 1.0 N B:TYR66 4.4 47.8 1.0 HA B:TYR66 4.4 70.6 1.0 HA2 B:GLY65 4.6 52.6 1.0 CA B:TYR66 4.9 58.8 1.0

Thallium binding site 9 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 9 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl203 b:45.7 occ:0.06 O B:THR63 2.6 45.7 1.0 O B:VAL64 2.6 51.1 1.0 TL B:TL204 3.3 43.5 0.1 TL B:TL202 3.3 48.5 0.0 C B:VAL64 3.4 44.1 1.0 HA B:VAL64 3.5 49.7 1.0 C B:THR63 3.8 46.5 1.0 CA B:VAL64 3.9 41.4 1.0 HA3 B:GLY65 4.2 52.6 1.0 N B:VAL64 4.3 45.6 1.0 N B:GLY65 4.4 47.2 1.0 HB B:THR63 4.5 50.0 1.0 CA B:GLY65 4.8 43.8 1.0 CA B:THR63 4.9 40.3 1.0

Thallium binding site 10 out of 11 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 10 of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -K+,Tl+ Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Tl204 b:43.5 occ:0.07 O B:THR63 2.7 45.7 1.0 OG1 B:THR63 2.9 43.1 1.0 HB B:THR63 3.1 50.0 1.0 TL B:TL203 3.3 45.7 0.1 CB B:THR63 3.5 41.6 1.0 C B:THR63 3.7 46.5 1.0 CA B:THR63 4.3 40.3 1.0 HA B:VAL64 4.4 49.7 1.0 HG21 B:THR63 4.7 56.1 1.0 CG2 B:THR63 4.7 46.7 1.0 N B:VAL64 4.8 45.6 1.0 HA B:THR63 4.8 48.4 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.