Thallium in PDB 1r3j: Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+

The structure of Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+, PDB code: 1r3j was solved by Y.Zhou, R.Mackinnon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.66 / 1.90
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	154.740, 154.740, 76.380, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 22.8

The binding sites of Thallium atom in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+ (pdb code 1r3j). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 5 binding sites of Thallium where determined in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+, PDB code: 1r3j:
Jump to Thallium binding site number: 1; 2; 3; 4; 5;

Thallium binding site 1 out of 5 in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl401 b:22.9 occ:0.25 O C:TYR78 2.7 15.6 1.0 O C:HOH536 3.4 40.7 0.2 O C:GLY77 3.5 10.5 1.0 TL C:TL402 3.5 22.1 0.2 C C:TYR78 3.5 18.8 1.0 N C:GLY79 4.2 17.1 1.0 CA C:TYR78 4.3 17.8 1.0 CA C:GLY79 4.3 18.0 1.0 C C:GLY77 4.5 16.9 1.0 N C:TYR78 4.9 13.4 1.0

Thallium binding site 2 out of 5 in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl402 b:22.1 occ:0.25 O C:GLY77 2.7 10.5 1.0 O C:VAL76 3.1 15.4 1.0 TL C:TL403 3.3 22.4 0.2 TL C:TL401 3.5 22.9 0.2 C C:GLY77 3.6 16.9 1.0 C C:VAL76 4.2 17.8 1.0 CA C:GLY77 4.3 15.0 1.0 N C:TYR78 4.5 13.4 1.0 CA C:TYR78 4.7 17.8 1.0 N C:GLY77 4.7 15.9 1.0 C C:TYR78 4.9 18.8 1.0 O C:TYR78 4.9 15.6 1.0

Thallium binding site 3 out of 5 in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl403 b:22.4 occ:0.25 O C:THR75 2.8 17.1 1.0 O C:VAL76 3.0 15.4 1.0 TL C:TL402 3.3 22.1 0.2 TL C:TL404 3.5 22.9 0.2 C C:VAL76 3.7 17.8 1.0 C C:THR75 4.0 19.0 1.0 CA C:VAL76 4.1 16.9 1.0 N C:VAL76 4.5 15.2 1.0 N C:GLY77 4.6 15.9 1.0 O C:GLY77 5.0 10.5 1.0

Thallium binding site 4 out of 5 in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 4 of Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl404 b:22.9 occ:0.25 O C:HOH524 2.7 45.0 0.2 OG1 C:THR75 2.9 18.9 1.0 O C:THR75 3.1 17.1 1.0 TL C:TL403 3.5 22.4 0.2 CB C:THR75 3.6 20.7 1.0 C C:THR75 3.9 19.0 1.0 CA C:THR75 4.4 17.8 1.0 CG2 C:THR75 4.8 20.9 1.0 O C:THR74 4.8 15.2 1.0 N C:VAL76 4.9 15.2 1.0

Thallium binding site 5 out of 5 in the Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 5 of Potassium Channel Kcsa-Fab Complex in High Concentration of Tl+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Tl405 b:34.5 occ:0.25 O C:HOH528 3.2 48.0 1.0 O C:HOH535 4.3 59.5 1.0 O C:HOH524 4.5 45.0 0.2

Y.Zhou, R.Mackinnon. The Occupancy of Ions in the K+ Selectivity Filter: Charge Balance and Coupling of Ion Binding to A Protein Conformational Change Underlie High Conduction Rates J.Mol.Biol. V. 333 965 2003.
ISSN: ISSN 0022-2836
PubMed: 14583193
DOI: 10.1016/J.JMB.2003.09.022