Nickel in PDB 3lek: Lectin Domain of Lectinolysin Complexed with Lewis B Antigen

The structure of Lectin Domain of Lectinolysin Complexed with Lewis B Antigen, PDB code: 3lek 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)	34.00 / 2.00
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.010, 67.010, 97.650, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.7

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

Calcium

(Ca)

1 atom

The binding sites of Nickel atom in the Lectin Domain of Lectinolysin Complexed with Lewis B Antigen (pdb code 3lek). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Lectin Domain of Lectinolysin Complexed with Lewis B Antigen, PDB code: 3lek:

Nickel binding site 1 out of 1 in the Lectin Domain of Lectinolysin Complexed with Lewis B Antigen


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Lectin Domain of Lectinolysin Complexed with Lewis B Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni191 b:14.2 occ:0.30 O A:HOH284 1.9 16.9 1.0 O A:HOH247 2.0 19.0 1.0 O A:HOH249 2.0 17.2 1.0 O A:HOH285 2.0 19.4 1.0 O A:HOH283 2.0 15.2 1.0 NE2 A:HIS80 2.1 17.7 1.0 CE1 A:HIS80 3.0 17.2 1.0 CD2 A:HIS80 3.1 15.6 1.0 O A:HOH248 4.0 26.8 1.0 O A:HOH287 4.1 28.9 1.0 ND1 A:HIS80 4.2 17.0 1.0 O A:HOH250 4.2 25.9 1.0 OD1 A:ASP77 4.2 17.0 1.0 CG A:HIS80 4.2 14.8 1.0 O A:HOH211 4.8 21.2 1.0 CG A:ASP77 4.9 18.8 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