Calcium in PDB 3i57: Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri

The structure of Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri, PDB code: 3i57 was solved by A.M.Hemmings, D.A.Mackenzie, L.E.Tailford, N.Juge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.62 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.861, 45.846, 191.573, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.8

The binding sites of Calcium atom in the Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri (pdb code 3i57). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri, PDB code: 3i57:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca186 b:11.9 occ:1.00 O A:ASP62 2.2 17.9 1.0 O A:ASN65 2.3 14.5 1.0 O A:HOH256 2.4 11.1 1.0 OD1 A:ASP60 2.4 15.0 1.0 OE1 A:GLN2 2.5 10.8 1.0 O A:HOH233 2.5 10.9 1.0 OD2 A:ASP60 3.0 17.3 1.0 CG A:ASP60 3.1 14.2 1.0 C A:ASP62 3.4 19.7 1.0 C A:ASN65 3.5 15.9 1.0 CD A:GLN2 3.6 13.1 1.0 CA A:ASP62 4.1 18.9 1.0 CA A:ASP66 4.2 12.7 1.0 N A:ASP62 4.2 19.0 1.0 CB A:GLN2 4.2 8.8 1.0 O A:HOH299 4.2 15.0 1.0 CB A:ASP62 4.3 19.4 1.0 N A:ASP66 4.3 13.8 1.0 CG A:GLN2 4.3 10.2 1.0 N A:ASP63 4.3 20.2 1.0 NE2 A:GLN67 4.5 10.2 1.0 NE2 A:GLN2 4.5 14.7 1.0 CA A:GLN2 4.5 9.4 1.0 CA A:ASP63 4.6 21.1 1.0 CB A:ASP60 4.6 12.6 1.0 N A:ASN65 4.6 19.1 1.0 N A:LYS3 4.6 8.6 1.0 CA A:ASN65 4.6 17.4 1.0 C A:ASP63 4.7 21.4 1.0 OD1 A:ASP66 4.7 12.8 1.0 C A:ASP66 4.7 11.9 1.0 O A:LYS3 4.8 9.8 1.0 O A:ASP63 4.8 22.3 1.0 CG A:ASP62 4.9 18.3 1.0 N A:GLN67 5.0 10.2 1.0

Calcium binding site 2 out of 2 in the Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Type 2 Repeat of the Mucus Binding Protein Mub From Lactobacillus Reuteri within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca186 b:13.9 occ:1.00 OE1 B:GLN2 2.3 13.7 1.0 O B:ASP62 2.3 22.2 1.0 O B:HOH214 2.3 8.1 1.0 O B:HOH544 2.4 22.7 1.0 O B:ASN65 2.4 18.4 1.0 O B:HOH259 2.5 16.3 1.0 OD1 B:ASP60 2.5 17.3 1.0 C B:ASP62 3.4 23.7 1.0 CG B:ASP60 3.4 15.4 1.0 CD B:GLN2 3.5 15.6 1.0 OD2 B:ASP60 3.6 17.2 1.0 C B:ASN65 3.6 18.7 1.0 CA B:ASP66 4.1 14.5 1.0 N B:ASP62 4.1 22.0 1.0 CA B:ASP62 4.2 23.0 1.0 CB B:GLN2 4.3 13.0 1.0 N B:ASP63 4.3 24.3 1.0 N B:ASP66 4.4 16.3 1.0 CG B:GLN2 4.4 12.6 1.0 NE2 B:GLN2 4.4 14.2 1.0 OE1 B:GLN67 4.4 11.5 1.0 CB B:ASP62 4.4 23.5 1.0 CA B:ASP63 4.5 26.2 1.0 CA B:GLN2 4.6 12.9 1.0 N B:LYS3 4.6 11.8 1.0 O B:HOH350 4.6 19.3 1.0 OD1 B:ASP66 4.7 12.7 1.0 O B:LYS3 4.7 9.6 1.0 N B:ASN65 4.7 21.9 1.0 C B:ASP66 4.7 12.7 1.0 CA B:ASN65 4.7 20.9 1.0 CB B:ASP60 4.8 13.0 1.0 C B:ASP63 4.9 25.8 1.0 N B:GLN67 4.9 11.2 1.0

D.A.Mackenzie, L.E.Tailford, A.M.Hemmings, N.Juge. Crystal Structure of A Mucus Binding Protein Repeat Reveals An Unexpected Functional Immunoglobulin Binding Activity. J.Biol.Chem. V. 284 32444 2009.
ISSN: ISSN 0021-9258
PubMed: 19758995
DOI: 10.1074/JBC.M109.040907