Barium in PDB 4qe7: Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+

The structure of Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+, PDB code: 4qe7 was solved by R.Guo, W.Zeng, H.Cui, L.Chen, S.Ye, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.50 / 2.40
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.998, 60.998, 45.320, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.5

The binding sites of Barium atom in the Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+ (pdb code 4qe7). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 3 binding sites of Barium where determined in the Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+, PDB code: 4qe7:
Jump to Barium binding site number: 1; 2; 3;

Barium binding site 1 out of 3 in the Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba101 b:77.2 occ:0.25 BA A:BA102 2.9 88.6 0.2 O A:GLY61 2.9 60.0 1.0 O A:HOH201 2.9 31.3 0.2 O A:VAL60 3.0 59.4 1.0 C A:GLY61 3.8 59.1 1.0 C A:VAL60 4.2 59.0 1.0 CA A:GLY61 4.4 58.6 1.0 N A:TYR62 4.7 58.6 1.0 N A:GLY61 4.8 58.4 1.0 CA A:TYR62 5.0 58.9 1.0

Barium binding site 2 out of 3 in the Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba102 b:88.6 occ:0.25 BA A:BA101 2.9 77.2 0.2 O A:THR59 3.0 60.3 1.0 O A:VAL60 3.1 59.4 1.0 BA A:BA103 3.5 91.6 0.2 C A:VAL60 3.9 59.0 1.0 C A:THR59 4.1 59.6 1.0 CA A:VAL60 4.3 58.9 1.0 N A:VAL60 4.7 58.7 1.0 N A:GLY61 4.9 58.4 1.0 O A:GLY61 5.0 60.0 1.0

Barium binding site 3 out of 3 in the Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Open Mthk Pore Structure Soaked in 10 Mm BA2+/100 Mm Na+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba103 b:91.6 occ:0.25 OG1 A:THR59 3.0 61.0 1.0 O A:THR59 3.0 60.3 1.0 BA A:BA102 3.5 88.6 0.2 CB A:THR59 3.8 61.0 1.0 C A:THR59 4.0 59.6 1.0 CA A:THR59 4.6 59.1 1.0

R.Guo, W.Zeng, H.Cui, L.Chen, S.Ye. Ionic Interactions of BA2+ Blockades in the Mthk K+ Channel J.Gen.Physiol..
ISSN: ESSN 1540-7748