Magnesium in PDB 6i21: Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism

The structure of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism, PDB code: 6i21 was solved by P.J.Rizkallah, M.E.Kalvaitis, R.K.Allemann, R.J.Mart, L.A.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.48 / 1.50
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	106.389, 106.389, 67.486, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 20.5

The structure of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism (pdb code 6i21). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism, PDB code: 6i21:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg408 b:18.3 occ:0.50 O A:LEU226 2.3 19.9 1.0 O A:SER223 2.3 23.2 1.0 O A:HOH533 2.6 26.4 1.0 C A:LEU226 3.5 17.7 1.0 C A:SER223 3.5 22.0 1.0 CA A:LEU226 4.2 18.7 1.0 O A:GLU224 4.3 22.6 1.0 CB A:LEU226 4.3 19.3 1.0 C A:GLU224 4.3 20.4 1.0 N A:LEU226 4.3 18.8 1.0 CA A:GLU224 4.3 22.3 1.0 N A:GLU224 4.4 21.6 1.0 N A:GLY227 4.5 17.8 1.0 CA A:SER223 4.5 20.6 1.0 CA A:GLY227 4.7 18.2 1.0 C A:VAL225 4.9 18.7 0.5 C A:VAL225 4.9 18.9 0.5 N A:VAL225 5.0 19.2 0.5 N A:VAL225 5.0 18.9 0.5

Magnesium binding site 2 out of 2 in the Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg409 b:78.3 occ:1.00 O A:HOH539 3.6 25.6 1.0

M.E.Kalvaitis, L.A.Johnson, R.J.Mart, P.Rizkallah, R.K.Allemann. A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain Upon Photoactivation. Biochemistry V. 58 2608 2019.
ISSN: ISSN 0006-2960
PubMed: 31082213
DOI: 10.1021/ACS.BIOCHEM.9B00255