Potassium in PDB 8a7x: Nak C-Di F92A Mutant Soaked in Cs+

The structure of Nak C-Di F92A Mutant Soaked in Cs+, PDB code: 8a7x was solved by S.Minniberger, A.J.R.Plested, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.12 / 2.10
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	68.16, 68.16, 90.25, 90, 90, 90
R / Rfree (%)	19.7 / 24

The structure of Nak C-Di F92A Mutant Soaked in Cs+ also contains other interesting chemical elements:

Caesium

(Cs)

5 atoms

The binding sites of Potassium atom in the Nak C-Di F92A Mutant Soaked in Cs+ (pdb code 8a7x). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Nak C-Di F92A Mutant Soaked in Cs+, PDB code: 8a7x:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:K209 b:75.8 occ:0.25 O A:HOH308 2.8 55.5 1.0 HA A:ASP67 3.6 84.9 1.0 O A:CYS66 3.6 52.5 1.0 C A:CYS66 4.3 43.5 1.0 CA A:ASP67 4.5 70.7 1.0 N A:ASP67 4.7 54.9 1.0 HB3 A:ASP67 4.8 97.9 1.0

Potassium binding site 2 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:K210 b:38.4 occ:0.26 OG1 A:THR63 2.7 37.9 1.0 HB A:THR63 3.0 39.5 1.0 O A:THR63 3.0 30.1 1.0 K A:K211 3.3 65.0 0.2 CB A:THR63 3.4 32.9 1.0 HG1 A:THR63 3.5 45.6 1.0 C A:THR63 3.8 49.4 1.0 CS A:CS201 3.9 31.7 0.2 CA A:THR63 4.3 42.6 1.0 HG21 A:THR63 4.5 59.6 1.0 HA A:VAL64 4.6 40.7 1.0 CG2 A:THR63 4.6 49.5 1.0 HA A:THR63 4.8 51.2 1.0 N A:VAL64 4.8 46.8 1.0

Potassium binding site 3 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:K211 b:65.0 occ:0.25 H52 A:MPD203 2.8 92.4 1.0 H53 A:MPD203 3.2 92.4 1.0 K A:K210 3.3 38.4 0.3 OG1 A:THR63 3.4 37.9 1.0 C5 A:MPD203 3.5 76.9 1.0 HG1 A:THR63 3.7 45.6 1.0 H51 A:MPD203 4.0 92.4 1.0 HG21 A:THR63 4.2 59.6 1.0 H4 A:MPD203 4.4 111.2 1.0 CB A:THR63 4.4 32.9 1.0 HB A:THR63 4.4 39.5 1.0 C4 A:MPD203 4.6 92.6 1.0 CG2 A:THR63 4.7 49.5 1.0 HG23 A:THR63 4.8 59.6 1.0

Potassium binding site 4 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ A:K212 b:62.3 occ:1.00 HB2 A:SER69 3.0 55.2 1.0 HB3 A:GLN71 3.2 59.8 1.0 O A:SER69 3.3 46.0 1.0 O A:PRO70 3.5 48.7 1.0 HB3 A:SER69 3.7 55.2 1.0 CB A:SER69 3.7 45.9 1.0 HA A:GLN71 3.8 56.5 1.0 H A:SER69 3.9 58.8 1.0 C A:SER69 3.9 37.8 1.0 CB A:GLN71 4.1 49.7 1.0 C A:PRO70 4.1 35.9 1.0 CA A:SER69 4.2 39.9 1.0 CA A:GLN71 4.3 47.0 1.0 N A:SER69 4.4 48.9 1.0 N A:GLN71 4.5 36.6 1.0 HB2 A:GLN71 4.5 59.8 1.0 N A:PRO70 4.8 40.7 1.0 HE3 A:LYS76 4.8 66.2 1.0 OG A:SER69 4.9 61.8 1.0 HG A:SER69 4.9 74.3 1.0

Potassium binding site 5 out of 5 in the Nak C-Di F92A Mutant Soaked in Cs+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Nak C-Di F92A Mutant Soaked in Cs+ within 5.0Å range: probe atom residue distance (Å) B Occ B:K215 b:64.1 occ:0.21 H12 B:MPD204 3.0 98.2 1.0 H11 B:MPD204 3.2 98.2 1.0 CS B:CS202 3.3 48.7 0.1 OG1 B:THR63 3.5 45.5 1.0 C1 B:MPD204 3.6 81.8 1.0 H13 B:MPD204 4.0 98.2 1.0 HG23 B:THR63 4.1 61.3 1.0 HB B:THR63 4.3 56.8 1.0 CB B:THR63 4.4 47.2 1.0 H32 B:MPD204 4.4 82.4 1.0 H31 B:MPD204 4.6 82.4 1.0 CG2 B:THR63 4.7 51.0 1.0 C2 B:MPD204 4.8 72.0 1.0 C3 B:MPD204 4.9 68.6 1.0 HG22 B:THR63 4.9 61.3 1.0

S.Minniberger, S.Abdolvand, S.Braunbeck, H.Sun, A.J.R.Plested. Asymmetry and Ion Selectivity Properties of Bacterial Channel Nak Mutants Derived From Ionotropic Glutamate Receptors. J.Mol.Biol. 67970 2023.
ISSN: ESSN 1089-8638
PubMed: 36682679
DOI: 10.1016/J.JMB.2023.167970