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Thallium in PDB 2boc: Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas)

Protein crystallography data

The structure of Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas), PDB code: 2boc was solved by M.J.Lenaeus, M.Vamvouka, P.J.Focia, A.Gross, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 3.01
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 154.680, 154.680, 76.190, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 25

Other elements in 2boc:

The structure of Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas) also contains other interesting chemical elements:

Cobalt (Co) 1 atom
Arsenic (As) 2 atoms

Thallium Binding Sites:

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

Thallium binding site 1 out of 4 in 2boc

Go back to Thallium Binding Sites List in 2boc
Thallium binding site 1 out of 4 in the Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas)


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 Thallium with Tetraethylarsonium (Teas) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Tl201

b:40.6
occ:0.21
O C:HOH301 0.2 48.8 0.0
O C:TYR78 2.3 19.9 1.0
C C:TYR78 3.2 19.9 1.0
O C:GLY77 3.5 20.2 1.0
CA C:TYR78 3.7 20.0 1.0
N C:GLY79 4.2 19.7 1.0
C1 C:T1A206 4.3 39.4 0.1
C C:GLY77 4.3 20.2 1.0
C1 C:T1A206 4.4 39.9 0.1
N C:TYR78 4.4 20.1 1.0
C3 C:T1A206 4.5 39.9 0.1
CA C:GLY79 4.6 19.6 1.0
C3 C:T1A206 4.6 39.4 0.1
CB C:TYR78 5.0 20.1 1.0

Thallium binding site 2 out of 4 in 2boc

Go back to Thallium Binding Sites List in 2boc
Thallium binding site 2 out of 4 in the Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas)


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 Thallium with Tetraethylarsonium (Teas) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Tl202

b:27.1
occ:0.03
O C:HOH304 0.2 30.8 0.2
O C:THR75 2.6 20.4 1.0
O C:HOH303 3.2 18.0 0.2
TL C:TL203 3.3 19.2 0.0
C C:THR75 3.7 20.4 1.0
C C:VAL76 3.9 20.5 1.0
CA C:VAL76 3.9 20.4 1.0
O C:VAL76 3.9 20.6 1.0
O C:GLY77 4.2 20.2 1.0
N C:VAL76 4.3 20.4 1.0
N C:GLY77 4.5 20.4 1.0
CA C:THR75 5.0 20.4 1.0
OG1 C:THR75 5.0 20.2 1.0

Thallium binding site 3 out of 4 in 2boc

Go back to Thallium Binding Sites List in 2boc
Thallium binding site 3 out of 4 in the Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas)


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 Thallium with Tetraethylarsonium (Teas) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Tl203

b:19.2
occ:0.04
O C:HOH303 0.1 18.0 0.2
OG1 C:THR75 2.6 20.2 1.0
O C:THR75 2.8 20.4 1.0
TL C:TL202 3.3 27.1 0.0
CB C:THR75 3.4 20.4 1.0
O C:HOH304 3.5 30.8 0.2
C C:THR75 3.7 20.4 1.0
CA C:THR75 4.2 20.4 1.0
CG2 C:THR75 4.6 20.3 1.0
N C:VAL76 4.6 20.4 1.0
O C:THR74 4.7 20.3 1.0
CA C:VAL76 4.9 20.4 1.0

Thallium binding site 4 out of 4 in 2boc

Go back to Thallium Binding Sites List in 2boc
Thallium binding site 4 out of 4 in the Potassium Channel Kcsa-Fab Complex in Thallium with Tetraethylarsonium (Teas)


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 Thallium with Tetraethylarsonium (Teas) within 5.0Å range:

Reference:

M.J.Lenaeus, M.Vamvouka, P.J.Focia, A.Gross. Structural Basis of Tea Blockade in A Model Potassium Channel Nat.Struct.Mol.Biol. V. 12 454 2005.
ISSN: ISSN 1545-9993
PubMed: 15852022
DOI: 10.1038/NSMB929
Page generated: Wed Dec 16 02:28:39 2020

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