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Caesium in PDB 2hg5: Cs+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter

Protein crystallography data

The structure of Cs+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter, PDB code: 2hg5 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) 26.10 / 2.75
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 156.597, 156.597, 75.706, 90.00, 90.00, 90.00
R / Rfree (%) 23.9 / 27.1

Caesium Binding Sites:

The binding sites of Caesium atom in the Cs+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter (pdb code 2hg5). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the Cs+ Complex of A K Channel with An Amide to Ester Substitution in the Selectivity Filter, PDB code: 2hg5:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 2hg5

Go back to Caesium Binding Sites List in 2hg5
Caesium binding site 1 out of 4 in the Cs+ 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 Caesium with other atoms in the Cs binding site number 1 of Cs+ 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:Cs101

b:40.6
occ:0.25
O C:THR75 3.1 29.3 1.0
O C:VAL76 3.7 22.9 1.0
C C:VAL76 3.8 23.7 1.0
CS C:CS103 4.0 44.8 0.2
CA C:VAL76 4.2 23.0 1.0
C C:THR75 4.2 24.8 1.0
O C:GLY77 4.3 35.7 1.0
N C:GLY77 4.4 26.2 1.0
N C:VAL76 4.7 22.2 1.0
CS C:CS102 4.8 44.0 0.2
CA C:GLY77 4.8 30.6 1.0
C C:GLY77 4.9 31.5 1.0

Caesium binding site 2 out of 4 in 2hg5

Go back to Caesium Binding Sites List in 2hg5
Caesium binding site 2 out of 4 in the Cs+ 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 Caesium with other atoms in the Cs binding site number 2 of Cs+ 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:Cs102

b:44.0
occ:0.25
O C:GLY77 2.8 35.7 1.0
O C:TYR78 3.9 34.3 1.0
C C:TYR78 3.9 34.0 1.0
C C:GLY77 4.0 31.5 1.0
CA C:TYR78 4.2 32.4 1.0
O2 C:GOA79 4.4 36.6 1.0
N C:TYR78 4.5 31.2 1.0
O C:VAL76 4.8 22.9 1.0
CS C:CS101 4.8 40.6 0.2
C2 C:GOA79 4.9 38.0 1.0

Caesium binding site 3 out of 4 in 2hg5

Go back to Caesium Binding Sites List in 2hg5
Caesium binding site 3 out of 4 in the Cs+ 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 Caesium with other atoms in the Cs binding site number 3 of Cs+ 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:Cs103

b:44.8
occ:0.25
OG1 C:THR75 2.7 30.8 1.0
O C:THR75 3.3 29.3 1.0
CB C:THR75 3.6 26.9 1.0
C C:THR75 4.0 24.8 1.0
CS C:CS101 4.0 40.6 0.2
CA C:THR75 4.5 26.8 1.0
CG2 C:THR75 4.8 25.2 1.0
N C:VAL76 4.9 22.2 1.0
O C:THR74 4.9 25.4 1.0

Caesium binding site 4 out of 4 in 2hg5

Go back to Caesium Binding Sites List in 2hg5
Caesium binding site 4 out of 4 in the Cs+ 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 Caesium with other atoms in the Cs binding site number 4 of Cs+ 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:Cs123

b:43.2
occ:0.25
O D:HOH3 3.8 57.7 1.0
O C:HOH105 4.0 57.6 1.0

Reference:

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
Page generated: Sun Dec 13 10:55:46 2020

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