Magnesium in PDB 7adi: KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel

The structure of KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel, PDB code: 7adi was solved by C.Venien-Bryan, C.Fagnen, R.De Zorzi, L.Bannwarth, I.Oubella, A.Haouz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.02 / 2.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.77, 113.98, 89.18, 90, 90, 90
R / Rfree (%)	22.2 / 28.7

The structure of KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Magnesium atom in the KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel (pdb code 7adi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel, PDB code: 7adi:

Magnesium binding site 1 out of 1 in the KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of KIRBAC3.1 W46R: Role of A Highly Conserved Tryptophan at the Membrane- Water Interface of Kir Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:37.2 occ:0.25 OG1 A:THR96 2.5 78.1 1.0 O A:THR96 2.6 91.3 1.0 O B:THR96 2.6 94.8 1.0 OG1 B:THR96 2.7 73.2 1.0 CB A:THR96 3.5 95.5 1.0 CB B:THR96 3.7 92.8 1.0 C A:THR96 3.7 111.7 1.0 C B:THR96 3.7 96.4 1.0 K A:K1002 3.9 78.0 0.2 CA A:THR96 4.2 98.2 1.0 CA B:THR96 4.3 92.4 1.0 O A:ALA95 4.6 75.5 1.0 O B:ALA95 4.6 72.4 1.0 CG2 A:THR96 4.7 77.3 1.0 N A:ILE97 4.8 125.5 1.0 N B:ILE97 4.8 95.0 1.0 CG2 B:THR96 4.9 83.8 1.0

C.Fagnen, L.Bannwarth, I.Oubella, D.Zuniga, A.Haouz, E.Forest, R.Scala, S.Bendahhou, R.De Zorzi, D.Perahia, C.Venien-Bryan. Integrative Study of the Structural and Dynamical Properties of A KIRBAC3.1 Mutant: Functional Implication of A Highly Conserved Tryptophan in the Transmembrane Domain. Int J Mol Sci V. 23 2021.
ISSN: ESSN 1422-0067
PubMed: 35008764
DOI: 10.3390/IJMS23010335