Calcium in PDB 3leg: Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen

The structure of Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen, PDB code: 3leg 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)	55.46 / 2.01
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.060, 67.060, 98.670, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 23.4

The structure of Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Calcium atom in the Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen (pdb code 3leg). 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 Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen, PDB code: 3leg:

Calcium binding site 1 out of 1 in the Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lectin Domain of Lectinolysin Complexed with Lewis Y Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:15.2 occ:1.00 O A:ALA176 2.3 15.6 1.0 O A:ARG68 2.3 16.2 1.0 O A:ASN73 2.3 17.0 1.0 OG A:SER82 2.3 16.5 1.0 OD1 A:ASP71 2.4 16.3 1.0 OE1 A:GLU177 2.4 16.8 1.0 O A:SER82 2.4 16.7 1.0 CG A:ASP71 3.4 16.9 1.0 C A:ASN73 3.5 17.4 1.0 CB A:SER82 3.5 15.5 1.0 C A:SER82 3.5 15.5 1.0 C A:ARG68 3.5 16.8 1.0 C A:ALA176 3.5 14.6 1.0 CD A:GLU177 3.6 17.1 1.0 OD2 A:ASP71 3.7 16.6 1.0 CA A:SER82 4.0 16.0 1.0 N A:ASN73 4.1 17.8 1.0 CA A:ASN73 4.1 17.1 1.0 CB A:GLU177 4.2 14.9 1.0 CB A:ASN73 4.3 18.2 1.0 CA A:ALA69 4.3 15.2 1.0 CA A:GLU177 4.3 14.8 1.0 N A:GLU177 4.4 14.8 1.0 N A:ALA69 4.4 16.4 1.0 CA A:ARG68 4.5 16.4 1.0 N A:VAL74 4.5 16.6 1.0 C A:ALA69 4.5 14.5 1.0 CA A:ALA176 4.5 14.6 1.0 OE2 A:GLU177 4.5 16.3 1.0 CG A:GLU177 4.5 14.5 1.0 N A:ASP71 4.6 17.5 1.0 CA A:VAL74 4.7 16.5 1.0 CB A:ASP71 4.7 18.3 1.0 N A:VAL83 4.7 15.6 1.0 CB A:ARG68 4.8 14.6 1.0 O A:ALA69 4.8 14.5 1.0 N A:VAL70 5.0 14.6 1.0

S.C.Feil, S.Lawrence, T.D.Mulhern, J.K.Holien, E.M.Hotze, S.Farrand, R.K.Tweten, M.W.Parker. Structure of the Lectin Regulatory Domain of the Cholesterol-Dependent Cytolysin Lectinolysin Reveals the Basis For Its Lewis Antigen Specificity. Structure V. 20 248 2012.
ISSN: ISSN 0969-2126
PubMed: 22325774
DOI: 10.1016/J.STR.2011.11.017