Atomistry » Thallium » PDB 5avq-8vnu » 8ctw
Atomistry »
  Thallium »
    PDB 5avq-8vnu »
      8ctw »

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

Protein crystallography data

The structure of Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,Tl+ Complex, PDB code: 8ctw 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) 48.01 / 2.00
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 67.9, 67.9, 89.384, 90, 90, 90
R / Rfree (%) 18 / 19.8

Other elements in 8ctw:

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

Sodium (Na) 1 atom

Thallium Binding Sites:

The binding sites of Thallium atom in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,Tl+ Complex (pdb code 8ctw). 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) -Na+,Tl+ Complex, PDB code: 8ctw:
Jump to Thallium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Thallium binding site 1 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 1 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl208

b:14.3
occ:0.17
 O A:TYR66 2.7 12.6 1.0
O A:HOH321 3.1 38.6 0.2
O A:GLY65 3.4 12.3 1.0
C A:TYR66 3.5 16.1 1.0
TL A:TL209 3.6 11.1 0.1
HA A:TYR66 3.7 18.4 1.0
HA3 A:GLY67 3.9 19.0 1.0
CA A:TYR66 4.1 13.5 1.0
N A:GLY67 4.3 12.4 1.0
C A:GLY65 4.4 12.1 1.0
CA A:GLY67 4.6 14.0 1.0
N A:TYR66 4.8 11.8 1.0
H A:GLY67 4.9 14.3 1.0

Thallium binding site 2 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 2 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl209

b:11.1
occ:0.09
 O A:GLY65 2.7 12.3 1.0
O A:VAL64 3.0 12.1 1.0
TL A:TL210 3.3 13.6 0.1
C A:GLY65 3.5 12.1 1.0
TL A:TL208 3.6 14.3 0.2
HA3 A:GLY65 3.6 14.4 1.0
CA A:GLY65 4.0 12.2 1.0
C A:VAL64 4.1 12.7 1.0
HA A:TYR66 4.2 18.4 1.0
N A:TYR66 4.4 11.8 1.0
N A:GLY65 4.5 12.1 1.0
CA A:TYR66 4.7 13.5 1.0
HA2 A:GLY65 4.9 14.4 1.0

Thallium binding site 3 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 3 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl210

b:13.6
occ:0.07
 O A:THR63 2.7 16.3 1.0
O A:VAL64 2.9 12.1 1.0
TL A:TL209 3.3 11.1 0.1
C A:VAL64 3.6 12.7 1.0
TL A:TL211 3.6 13.2 0.1
HA A:VAL64 3.6 19.2 1.0
C A:THR63 3.9 15.9 1.0
CA A:VAL64 4.1 15.6 1.0
HA3 A:GLY65 4.3 14.4 1.0
N A:VAL64 4.5 15.3 1.0
HB A:THR63 4.5 13.4 1.0
N A:GLY65 4.5 12.1 1.0
CA A:GLY65 4.8 12.2 1.0

Thallium binding site 4 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 4 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl211

b:13.2
occ:0.10
 OG1 A:THR63 2.9 18.6 1.0
HB A:THR63 3.0 13.4 1.0
O A:THR63 3.1 16.3 1.0
CB A:THR63 3.4 16.4 1.0
TL A:TL210 3.6 13.6 0.1
C A:THR63 3.9 15.9 1.0
CA A:THR63 4.3 14.7 1.0
HG23 A:THR63 4.5 15.4 1.0
CG2 A:THR63 4.6 17.7 1.0
HA A:VAL64 4.7 19.2 1.0
HA A:THR63 4.9 10.7 1.0
N A:VAL64 4.9 15.3 1.0
O A:THR62 5.0 19.1 1.0

Thallium binding site 5 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 5 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl210

b:30.1
occ:0.17
 O B:TYR66 2.6 36.6 1.0
O B:GLY65 3.2 29.7 1.0
O B:HOH316 3.2 38.1 0.2
C B:TYR66 3.4 32.8 1.0
TL B:TL211 3.5 21.7 0.1
HA3 B:GLY67 3.8 51.1 1.0
HA B:TYR66 3.8 37.5 1.0
CA B:TYR66 4.2 31.8 1.0
N B:GLY67 4.2 33.7 1.0
C B:GLY65 4.3 29.1 1.0
CA B:GLY67 4.5 39.2 1.0
N B:TYR66 4.8 29.1 1.0
O B:HOH315 4.9 38.1 1.0
H B:GLY67 4.9 36.5 1.0

Thallium binding site 6 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 6 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl211

b:21.7
occ:0.09
 O B:GLY65 2.6 29.7 1.0
O B:VAL64 2.9 23.0 1.0
TL B:TL212 3.3 19.4 0.1
C B:GLY65 3.4 29.1 1.0
HA3 B:GLY65 3.4 24.6 1.0
TL B:TL210 3.5 30.1 0.2
CA B:GLY65 3.9 25.8 1.0
C B:VAL64 4.0 21.4 1.0
HA B:TYR66 4.3 37.5 1.0
N B:TYR66 4.4 29.1 1.0
N B:GLY65 4.4 24.7 1.0
CA B:TYR66 4.7 31.8 1.0
HA2 B:GLY65 4.7 24.6 1.0
O B:TYR66 4.9 36.6 1.0
C B:TYR66 5.0 32.8 1.0

Thallium binding site 7 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 7 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl212

b:19.4
occ:0.07
 O B:THR63 2.7 21.6 1.0
O B:VAL64 2.9 23.0 1.0
TL B:TL211 3.3 21.7 0.1
C B:VAL64 3.5 21.4 1.0
TL B:TL213 3.5 20.1 0.1
HA B:VAL64 3.6 19.8 1.0
C B:THR63 3.8 21.2 1.0
CA B:VAL64 4.0 20.5 1.0
HA3 B:GLY65 4.2 24.6 1.0
N B:VAL64 4.4 22.4 1.0
N B:GLY65 4.5 24.7 1.0
HB B:THR63 4.6 24.4 1.0
CA B:GLY65 4.8 25.8 1.0

Thallium binding site 8 out of 8 in 8ctw

Go back to Thallium Binding Sites List in 8ctw
Thallium binding site 8 out of 8 in the Crystal Structure of A K+ Selective Nak Mutant (NAK2K) -Na+,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) -Na+,Tl+ Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl213

b:20.1
occ:0.12
 OG1 B:THR63 2.8 17.2 1.0
O B:THR63 3.0 21.6 1.0
HB B:THR63 3.2 24.4 1.0
CB B:THR63 3.5 19.5 1.0
TL B:TL212 3.5 19.4 0.1
C B:THR63 3.9 21.2 1.0
CA B:THR63 4.4 20.3 1.0
HA B:VAL64 4.6 19.8 1.0
HG21 B:THR63 4.6 32.3 1.0
CG2 B:THR63 4.7 21.1 1.0
N B:VAL64 4.9 22.4 1.0
HA B:THR63 4.9 23.9 1.0

Reference:

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.
Page generated: Fri Oct 11 10:26:18 2024

Last articles

Cl in 2YN4
Cl in 2YM8
Cl in 2YKQ
Cl in 2YKO
Cl in 2YKP
Cl in 2YLM
Cl in 2YJC
Cl in 2YJQ
Cl in 2YKK
Cl in 2YJB
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy