Calcium in PDB 4gwj: His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B

The structure of His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B, PDB code: 4gwj was solved by S.C.Feil, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.90 / 1.60
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.923, 66.923, 99.387, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21

The structure of His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Calcium atom in the His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B (pdb code 4gwj). 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 His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B, PDB code: 4gwj:

Calcium binding site 1 out of 1 in the His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of His 62 Mutant of the Lectin Binding Domain of Lectinolysin Complexed with Lewis B within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:21.4 occ:1.00 O A:ASN73 2.3 21.2 1.0 O A:ALA176 2.3 21.8 1.0 O A:ARG68 2.4 20.1 1.0 OG A:SER82 2.4 21.0 1.0 OE1 A:GLU177 2.5 22.9 1.0 OD1 A:ASP71 2.5 20.7 1.0 O A:SER82 2.6 21.7 1.0 CB A:SER82 3.4 20.7 1.0 CG A:ASP71 3.5 22.3 1.0 C A:ASN73 3.5 20.9 1.0 C A:ALA176 3.6 21.8 1.0 C A:ARG68 3.6 19.5 1.0 C A:SER82 3.6 20.9 1.0 CD A:GLU177 3.7 22.1 1.0 OD2 A:ASP71 3.7 23.7 1.0 CA A:SER82 3.9 21.9 1.0 N A:ASN73 4.1 21.3 1.0 CB A:GLU177 4.2 22.1 1.0 CA A:ASN73 4.2 20.8 1.0 CB A:ASN73 4.2 21.4 1.0 CA A:ALA69 4.2 18.1 1.0 CA A:GLU177 4.3 18.7 1.0 N A:ALA69 4.4 19.2 1.0 N A:GLU177 4.4 21.3 1.0 CG A:GLU177 4.5 20.5 1.0 CA A:ARG68 4.5 19.1 1.0 CA A:ALA176 4.5 21.0 1.0 N A:VAL74 4.5 21.7 1.0 C A:ALA69 4.6 20.8 1.0 OE2 A:GLU177 4.6 22.6 1.0 N A:ASP71 4.7 19.9 1.0 CA A:VAL74 4.7 21.8 1.0 CB A:ASP71 4.7 22.0 1.0 CB A:ARG68 4.8 19.3 1.0 N A:VAL83 4.8 19.2 1.0 O A:ALA69 4.9 21.0 1.0 N A:VAL70 5.0 19.5 1.0 CG A:ASN73 5.0 25.3 1.0

S.L.Lawrence, S.C.Feil, J.K.Holien, M.J.Kuiper, L.Doughty, O.Dolezal, T.D.Mulhern, R.K.Tweten, M.W.Parker. Manipulating the Lewis Antigen Specificity of the Cholesterol-Dependent Cytolysin Lectinolysin Front Immunol V. 3 330 2012.
ISSN: ESSN 1664-3224
PubMed: 23181061
DOI: 10.3389/FIMMU.2012.00330