Barium in PDB 3e8f: Crystal Structure of the the Open Nak Channel- K+/BA2+

The structure of Crystal Structure of the the Open Nak Channel- K+/BA2+, PDB code: 3e8f was solved by Y.Jiang, A.Alam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.88 / 2.00
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.226, 68.226, 89.548, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.8

The structure of Crystal Structure of the the Open Nak Channel- K+/BA2+ also contains other interesting chemical elements:

Potassium

(K)

6 atoms

The binding sites of Barium atom in the Crystal Structure of the the Open Nak Channel- K+/BA2+ (pdb code 3e8f). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 4 binding sites of Barium where determined in the Crystal Structure of the the Open Nak Channel- K+/BA2+, PDB code: 3e8f:
Jump to Barium binding site number: 1; 2; 3; 4;

Barium binding site 1 out of 4 in the Crystal Structure of the the Open Nak Channel- K+/BA2+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of the the Open Nak Channel- K+/BA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba1 b:18.7 occ:0.25 K A:K5 2.8 36.5 0.2 O A:VAL64 2.9 13.2 1.0 O A:THR63 2.9 19.1 1.0 C A:VAL64 3.5 16.8 1.0 K A:K6 4.0 24.7 0.2 C A:THR63 4.0 21.9 1.0 CA A:VAL64 4.2 21.1 1.0 N A:GLY65 4.3 14.3 1.0 CA A:GLY65 4.5 15.1 1.0 N A:VAL64 4.6 18.0 1.0

Barium binding site 2 out of 4 in the Crystal Structure of the the Open Nak Channel- K+/BA2+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of the the Open Nak Channel- K+/BA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba3 b:24.5 occ:0.25 O A:GLY67 2.7 22.4 1.0 O A:HOH502 2.9 28.3 1.0 C A:GLY67 3.9 27.3 1.0 CA A:ASN68 4.8 28.4 1.0 CA A:GLY67 4.8 25.2 1.0 N A:ASN68 4.8 22.9 1.0 ND2 A:ASN68 5.0 32.8 1.0

Barium binding site 3 out of 4 in the Crystal Structure of the the Open Nak Channel- K+/BA2+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of the the Open Nak Channel- K+/BA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba2 b:29.7 occ:0.25 O B:THR63 2.9 24.7 1.0 O B:VAL64 2.9 27.0 1.0 K B:K8 3.0 59.1 0.2 C B:VAL64 3.6 30.0 1.0 K B:K7 3.8 27.7 0.2 C B:THR63 4.0 27.1 1.0 CA B:VAL64 4.2 32.1 1.0 N B:GLY65 4.3 32.2 1.0 CA B:GLY65 4.6 36.5 1.0 N B:VAL64 4.6 30.0 1.0

Barium binding site 4 out of 4 in the Crystal Structure of the the Open Nak Channel- K+/BA2+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of Crystal Structure of the the Open Nak Channel- K+/BA2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba4 b:59.5 occ:0.25 O B:GLY67 2.7 59.2 1.0 C B:GLY67 3.9 57.0 1.0 OD1 B:ASN68 4.3 64.5 1.0 CA B:GLY67 4.7 56.0 1.0 CA B:ASN68 4.7 59.5 1.0 N B:ASN68 4.7 58.2 1.0 CG B:ASN68 5.0 61.7 1.0

A.Alam, Y.Jiang. Structural Analysis of Ion Selectivity in the Nak Channel Nat.Struct.Mol.Biol. V. 16 35 2009.
ISSN: ISSN 1545-9993
PubMed: 19098915
DOI: 10.1038/NSMB.1537