Nickel in PDB 4k0o: F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal

The structure of F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal, PDB code: 4k0o was solved by L.Buts, R.Loris, J.Bouckaert, K.Moonens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.82 / 2.15
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	87.646, 87.646, 57.022, 90.00, 90.00, 120.00
R / Rfree (%)	16.8 / 18

The binding sites of Nickel atom in the F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal (pdb code 4k0o). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal, PDB code: 4k0o:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni206 b:92.0 occ:0.77 O A:HOH360 2.1 64.0 1.0 NE2 A:HIS23 2.5 59.8 1.0 O A:HOH354 2.7 55.1 1.0 CE1 A:HIS23 3.4 59.4 1.0 CD2 A:HIS23 3.4 59.3 1.0 O A:HOH357 4.0 60.0 1.0 ND1 A:HIS23 4.5 61.5 1.0 CG A:HIS23 4.6 57.1 1.0

Nickel binding site 2 out of 2 in the F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of F17B-G Lectin Domain with Bound Glcnac(BETA1-3)Gal within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni207 b:78.9 occ:1.00 N A:THR162 3.3 55.3 1.0 OG1 A:THR162 3.5 59.3 1.0 CA A:GLN161 3.8 57.3 1.0 CG A:GLN161 3.9 60.2 1.0 N A:THR163 3.9 53.2 1.0 C A:GLN161 4.1 56.4 1.0 CA A:THR162 4.3 52.5 1.0 CB A:GLN161 4.3 56.7 1.0 CB A:THR162 4.4 51.6 1.0 OG1 A:THR163 4.5 50.4 1.0 CB A:THR163 4.5 49.0 1.0 C A:THR162 4.6 52.2 1.0 CA A:THR163 4.7 50.5 1.0 CG2 A:THR162 4.8 55.8 1.0 O A:THR163 4.9 54.9 1.0 O A:VAL160 5.0 67.9 1.0

E.Lonardi, K.Moonens, L.Buts, A.R.De Boer, J.D.Olsson, M.S.Weiss, E.Fabre, Y.Guerardel, A.M.Deelder, S.Oscarson, M.Wuhrer, J.Bouckaert. Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors For Fimbrial Adhesins of Enterotoxigenic Escherichia Coli Biology (Basel) V. 2 894 2013.
ISSN: ESSN 2079-7737
PubMed: 24833052
DOI: 10.3390/BIOLOGY2030894