Magnesium in PDB 4lsh: Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr

The structure of Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr, PDB code: 4lsh was solved by D.Balasundaresan, L.Blachowicz, B.Roux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.89 / 2.20
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	116.981, 116.981, 51.411, 90.00, 90.00, 120.00
R / Rfree (%)	24.5 / 29.3

The structure of Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr also contains other interesting chemical elements:

Bromine

(Br)

12 atoms

The binding sites of Magnesium atom in the Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr (pdb code 4lsh). 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 Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr, PDB code: 4lsh:

Magnesium binding site 1 out of 1 in the Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ion Selectivity of Ompf Porin Soaked in 0.2M Kbr within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:20.8 occ:0.61 O A:HOH543 2.6 2.0 0.2 OH A:TYR63 2.7 33.1 1.0 CZ A:TYR63 3.6 30.5 1.0 CE1 A:TYR63 4.2 32.8 1.0 ND2 A:ASN79 4.4 20.7 1.0 OE1 A:GLN76 4.4 49.0 1.0 CB A:ASN79 4.5 23.9 1.0 CE2 A:TYR63 4.6 28.1 1.0

B.Dhakshnamoorthy, B.K.Ziervogel, L.Blachowicz, B.Roux. A Structural Study of Ion Permeation in Ompf Porin From Anomalous X-Ray Diffraction and Molecular Dynamics Simulations. J.Am.Chem.Soc. V. 135 16561 2013.
ISSN: ISSN 0002-7863
PubMed: 24106986
DOI: 10.1021/JA407783A