Nickel in PDB 3le0: Lectin Domain of Lectinolysin Complexed with Glycerol

The structure of Lectin Domain of Lectinolysin Complexed with Glycerol, PDB code: 3le0 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)	29.46 / 1.91
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.189, 67.189, 98.322, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.6

The structure of Lectin Domain of Lectinolysin Complexed with Glycerol also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Nickel atom in the Lectin Domain of Lectinolysin Complexed with Glycerol (pdb code 3le0). 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 Glycerol, PDB code: 3le0:

Nickel binding site 1 out of 1 in the Lectin Domain of Lectinolysin Complexed with Glycerol


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 Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni191 b:24.8 occ:0.40 O A:HOH297 2.0 21.6 1.0 O A:HOH298 2.1 24.8 1.0 O A:HOH301 2.1 21.8 1.0 O A:HOH299 2.1 21.2 1.0 O A:HOH300 2.1 26.7 1.0 NE2 A:HIS80 2.2 21.0 1.0 CE1 A:HIS80 3.2 18.8 1.0 CD2 A:HIS80 3.2 19.3 1.0 O A:HOH320 4.1 37.3 1.0 O A:HOH219 4.1 31.9 1.0 O A:HOH319 4.2 36.1 1.0 OD1 A:ASP77 4.3 23.6 1.0 ND1 A:HIS80 4.3 18.9 1.0 CG A:HIS80 4.4 19.4 1.0 O A:HOH37 4.8 28.4 1.0 CG A:ASP77 5.0 24.4 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