Calcium in PDB 6ial: Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose

The structure of Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose, PDB code: 6ial was solved by J.B.Heim, J.E.Heggelund, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.73 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.079, 65.587, 96.266, 90.00, 108.64, 90.00
R / Rfree (%)	17.5 / 20.1

The structure of Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose also contains other interesting chemical elements:

Sodium

(Na)

14 atoms

The binding sites of Calcium atom in the Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose (pdb code 6ial). 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 Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose, PDB code: 6ial:

Calcium binding site 1 out of 1 in the Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Porcine E.Coli Heat-Labile Enterotoxin B-Pentamer in Complex with Lacto-N-Neohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:15.0 occ:1.00 O C:GLY33 2.2 20.4 1.0 O C:MET31 2.3 17.3 1.0 O B:HOH345 2.4 15.6 1.0 OE1 C:GLU36 2.4 18.5 1.0 O B:HOH303 2.5 21.7 1.0 NE2 B:GLN61 2.5 27.3 1.0 OE2 C:GLU36 2.5 20.6 1.0 CD C:GLU36 2.8 17.7 1.0 OE1 B:GLN61 3.0 58.1 1.0 CD B:GLN61 3.0 47.5 1.0 C C:MET31 3.4 15.0 1.0 C C:GLY33 3.5 20.5 1.0 CA C:MET31 4.1 11.8 1.0 N C:GLY33 4.2 15.6 1.0 C C:ALA32 4.2 14.6 1.0 CG B:GLN61 4.2 31.2 1.0 CG C:GLU36 4.3 16.1 1.0 CA B:GLN61 4.3 31.0 1.0 CB C:MET31 4.4 14.8 1.0 N C:ALA32 4.4 13.2 1.0 CA C:GLY33 4.4 19.3 1.0 N C:LYS34 4.4 18.4 1.0 O C:ALA32 4.4 15.0 1.0 CB B:GLN61 4.5 26.5 1.0 CA C:LYS34 4.5 19.1 1.0 CA C:ALA32 4.6 12.8 1.0 CB B:ALA64 4.7 17.0 1.0 O B:GLN61 4.9 26.7 1.0

J.E.Heggelund, J.B.Heim, G.Bajc, V.Hodnik, G.Anderluh, U.Krengel. Specificity Ofescherichia Coliheat-Labile Enterotoxin Investigated By Single-Site Mutagenesis and Crystallography. Int J Mol Sci V. 20 2019.
ISSN: ESSN 1422-0067
PubMed: 30736336
DOI: 10.3390/IJMS20030703