Thallium in PDB 2dwd: Crystal Structure of Kcsa-Fab-Tba Complex in Tl+

The structure of Crystal Structure of Kcsa-Fab-Tba Complex in Tl+, PDB code: 2dwd was solved by S.Yohannan, Y.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.76 / 2.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	153.180, 153.180, 75.483, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 26.3

The binding sites of Thallium atom in the Crystal Structure of Kcsa-Fab-Tba Complex in Tl+ (pdb code 2dwd). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 4 binding sites of Thallium where determined in the Crystal Structure of Kcsa-Fab-Tba Complex in Tl+, PDB code: 2dwd:
Jump to Thallium binding site number: 1; 2; 3; 4;

Thallium binding site 1 out of 4 in the Crystal Structure of Kcsa-Fab-Tba Complex in Tl+


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 Kcsa-Fab-Tba Complex in Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl3001 b:24.9 occ:0.25 O C:TYR78 3.0 15.7 1.0 TL C:TL3002 3.1 24.3 0.2 O C:GLY77 3.4 10.7 1.0 C C:TYR78 3.6 14.6 1.0 N C:GLY79 4.2 16.1 1.0 CA C:TYR78 4.3 13.7 1.0 CA C:GLY79 4.3 15.6 1.0 C C:GLY77 4.5 12.6 1.0 N C:TYR78 4.9 12.4 1.0

Thallium binding site 2 out of 4 in the Crystal Structure of Kcsa-Fab-Tba Complex in Tl+


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 Kcsa-Fab-Tba Complex in Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl3002 b:24.3 occ:0.25 O C:GLY77 3.0 10.7 1.0 O C:VAL76 3.1 15.7 1.0 TL C:TL3001 3.1 24.9 0.2 TL C:TL3003 3.1 26.7 0.2 C C:GLY77 3.7 12.6 1.0 C C:VAL76 4.2 14.9 1.0 CA C:GLY77 4.4 13.8 1.0 N C:TYR78 4.5 12.4 1.0 CA C:TYR78 4.7 13.7 1.0 N C:GLY77 4.8 14.6 1.0 C C:TYR78 4.9 14.6 1.0

Thallium binding site 3 out of 4 in the Crystal Structure of Kcsa-Fab-Tba Complex in Tl+


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 Kcsa-Fab-Tba Complex in Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl3003 b:26.7 occ:0.25 O C:THR75 2.9 19.4 1.0 O C:VAL76 3.0 15.7 1.0 TL C:TL3002 3.1 24.3 0.2 C C:VAL76 3.6 14.9 1.0 TL C:TL3004 3.9 26.0 0.2 CA C:VAL76 4.0 14.0 1.0 C C:THR75 4.0 14.0 1.0 N C:VAL76 4.5 13.6 1.0 N C:GLY77 4.5 14.6 1.0 CA C:GLY77 5.0 13.8 1.0

Thallium binding site 4 out of 4 in the Crystal Structure of Kcsa-Fab-Tba Complex in Tl+


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 Kcsa-Fab-Tba Complex in Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl3004 b:26.0 occ:0.25 OG1 C:THR75 3.1 16.8 1.0 O C:THR75 3.4 19.4 1.0 CB C:THR75 3.5 13.7 1.0 C41 C:TBA4001 3.6 20.8 0.2 C21 C:TBA4001 3.6 20.8 0.2 TL C:TL3003 3.9 26.7 0.2 C C:THR75 4.0 14.0 1.0 N1 C:TBA4001 4.3 20.8 0.2 CA C:THR75 4.4 14.7 1.0 C32 C:TBA4001 4.6 20.7 0.2 CG2 C:THR75 4.7 12.0 1.0 O C:THR74 4.8 12.7 1.0 N C:VAL76 4.8 13.6 1.0 C22 C:TBA4001 4.9 20.8 0.2 C42 C:TBA4001 4.9 20.8 0.2

S.Yohannan, Y.Hu, Y.Zhou. Crystallographic Study of the Tetrabutylammonium Block to the Kcsa K(+) Channel J.Mol.Biol. V. 366 806 2007.
ISSN: ISSN 0022-2836
PubMed: 17196615
DOI: 10.1016/J.JMB.2006.11.081