Calcium in PDB 5o7w: Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide

The structure of Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide, PDB code: 5o7w was solved by A.Varrot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 1.35
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	130.465, 130.465, 130.465, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.6

The structure of Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide also contains other interesting chemical elements:

Fluorine

(F)

14 atoms

The binding sites of Calcium atom in the Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide (pdb code 5o7w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide, PDB code: 5o7w:

Calcium binding site 1 out of 1 in the Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the 4-Fluoro Rsl Lectin in Complex with Lewis X Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca105 b:1.9 occ:1.00 O B:HOH256 2.4 2.1 1.0 O B:HOH311 2.4 3.9 1.0 O B:HOH223 2.4 4.8 1.0 O B:HOH342 2.4 2.6 1.0 O B:HOH324 2.4 3.9 1.0 O B:HOH253 2.4 2.1 1.0 O B:HOH343 2.4 2.0 1.0 OG1 B:THR87 4.3 2.4 1.0 O B:ALA85 4.5 2.3 1.0 O B:ASN90 4.6 2.9 1.0 O B:HOH228 4.6 9.1 1.0 OXT B:ASN90 4.6 4.2 1.0 O B:HOH284 4.6 8.5 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