Rubidium in PDB 2hfe: Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter

The structure of Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter, PDB code: 2hfe was solved by F.I.Valiyaveetil, R.Mackinnon, T.W.Muir, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.78 / 2.25
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	156.142, 156.142, 75.794, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 25.1

The binding sites of Rubidium atom in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter (pdb code 2hfe). This binding sites where shown within 5.0 Angstroms radius around Rubidium atom.
In total 5 binding sites of Rubidium where determined in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter, PDB code: 2hfe:
Jump to Rubidium binding site number: 1; 2; 3; 4; 5;

Rubidium binding site 1 out of 5 in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 1 of Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter within 5.0Å range: probe atom residue distance (Å) B Occ C:Rb201 b:55.2 occ:0.25 O C:TYR78 3.1 26.0 1.0 O C:HOH216 3.6 60.3 1.0 C C:TYR78 4.3 30.8 1.0 C2 C:GOA79 4.5 36.3 1.0 O2 C:GOA79 4.9 38.1 1.0

Rubidium binding site 2 out of 5 in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 2 of Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter within 5.0Å range: probe atom residue distance (Å) B Occ C:Rb202 b:28.9 occ:0.25 O C:GLY77 3.0 26.9 1.0 O C:VAL76 3.4 19.6 1.0 RB C:RB203 3.5 29.4 0.2 C C:GLY77 3.8 31.6 1.0 CA C:GLY77 4.4 30.3 1.0 C C:VAL76 4.5 28.0 1.0 N C:TYR78 4.6 29.4 1.0 CA C:TYR78 4.7 29.1 1.0 O C:TYR78 4.8 26.0 1.0 C C:TYR78 4.8 30.8 1.0

Rubidium binding site 3 out of 5 in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 3 of Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter within 5.0Å range: probe atom residue distance (Å) B Occ C:Rb203 b:29.4 occ:0.25 O C:THR75 3.1 22.3 1.0 O C:VAL76 3.2 19.6 1.0 RB C:RB202 3.5 28.9 0.2 RB C:RB204 3.6 26.2 0.2 C C:VAL76 3.9 28.0 1.0 CA C:VAL76 4.2 25.4 1.0 C C:THR75 4.2 29.0 1.0 N C:VAL76 4.8 27.7 1.0 N C:GLY77 4.8 29.8 1.0

Rubidium binding site 4 out of 5 in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 4 of Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter within 5.0Å range: probe atom residue distance (Å) B Occ C:Rb204 b:26.2 occ:0.25 OG1 C:THR75 3.0 22.2 1.0 O C:THR75 3.2 22.3 1.0 RB C:RB203 3.6 29.4 0.2 CB C:THR75 3.7 22.7 1.0 C C:THR75 4.1 29.0 1.0 CA C:THR75 4.6 25.6 1.0 CG2 C:THR75 4.8 27.5 1.0 O C:THR74 4.9 23.7 1.0

Rubidium binding site 5 out of 5 in the Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter


Mono view


Stereo pair view

A full contact list of Rubidium with other atoms in the Rb binding site number 5 of Rb+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter within 5.0Å range: probe atom residue distance (Å) B Occ D:Rb205 b:45.1 occ:0.25 O C:HOH215 3.4 49.6 1.0 O D:HOH132 3.9 63.3 1.0

F.I.Valiyaveetil, M.Sekedat, R.Mackinnon, T.W.Muir. Structural and Functional Consequences of An Amide-to-Ester Substitution in the Selectivity Filter of A Potassium Channel. J.Am.Chem.Soc. V. 128 11591 2006.
ISSN: ISSN 0002-7863
PubMed: 16939283
DOI: 10.1021/JA0631955