Magnesium in PDB 5o7u: Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide

The structure of Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide, PDB code: 5o7u was solved by A.Varrot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.29 / 1.15
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	129.152, 129.152, 129.152, 90.00, 90.00, 90.00
R / Rfree (%)	10.4 / 12.9

The structure of Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide also contains other interesting chemical elements:

Fluorine	(F)	15 atoms
Calcium	(Ca)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide (pdb code 5o7u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide, PDB code: 5o7u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:18.0 occ:1.00 O A:ALA7 2.3 6.8 1.0 O A:HOH289 2.3 14.4 1.0 O A:HOH266 2.6 12.2 0.5 O A:HOH266 2.9 10.6 0.5 C A:ALA7 3.4 5.9 1.0 N A:ALA7 4.1 5.5 1.0 CA A:ALA7 4.1 5.9 1.0 O A:HOH307 4.2 8.3 0.5 CB A:ALA7 4.4 7.2 1.0 O A:HOH307 4.4 12.4 0.5 N A:THR8 4.4 5.9 1.0 O A:HOH302 4.6 7.2 0.5 CA A:THR8 4.6 6.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the 7-Fluorotryptophan Rsl Lectin in Complex with Lewis X Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:18.6 occ:1.00 O B:ALA7 2.3 6.6 1.0 O B:HOH304 2.3 14.8 1.0 O B:HOH292 2.5 12.0 0.5 O B:HOH292 2.8 10.4 0.5 C B:ALA7 3.5 5.8 1.0 N B:ALA7 4.1 5.7 1.0 CA B:ALA7 4.2 5.9 1.0 O B:HOH246 4.2 13.8 1.0 CB B:ALA7 4.4 7.5 1.0 N B:THR8 4.4 5.8 1.0 O B:HOH311 4.5 6.2 0.5 CA B:THR8 4.6 6.2 1.0

F.Tobola, M.Lelimousin, A.Varrot, E.Gillon, B.Darnhofer, O.Blixt, R.Birner-Gruenberger, A.Imberty, B.Wiltschi. Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of A Lectin Engineered with Fluorinated Tryptophan Analogs. Acs Chem. Biol. V. 13 2211 2018.
ISSN: ESSN 1554-8937
PubMed: 29812892
DOI: 10.1021/ACSCHEMBIO.8B00377