Calcium in PDB 5jbd: 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121

All present enzymatic activity of 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121:
2.4.1.5;

The structure of 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121, PDB code: 5jbd was solved by T.Pijning, B.W.Dijkstra, Y.Bai, J.Gangoiti-Munecas, L.Dijkhuizen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.83 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	219.244, 57.852, 150.701, 90.00, 114.75, 90.00
R / Rfree (%)	17.7 / 20.8

The binding sites of Calcium atom in the 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121 (pdb code 5jbd). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121, PDB code: 5jbd:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1701 b:22.8 occ:1.00 OD1 A:ASN1483 2.3 23.8 1.0 OE2 A:GLU969 2.3 24.5 1.0 O A:GLU969 2.3 23.6 1.0 O A:ASN1019 2.4 22.9 1.0 OD1 A:ASP975 2.4 23.2 1.0 O A:HOH1910 2.4 26.3 1.0 OD2 A:ASP975 2.8 22.6 1.0 CG A:ASP975 3.0 23.1 1.0 CD A:GLU969 3.3 24.6 1.0 CG A:ASN1483 3.5 22.1 1.0 C A:GLU969 3.5 24.8 1.0 C A:ASN1019 3.6 25.5 1.0 CG A:GLU969 3.7 24.7 1.0 CA A:GLU969 4.1 24.7 1.0 ND2 A:ASN1483 4.2 23.6 1.0 O A:ASN1483 4.2 21.4 1.0 O A:HOH2045 4.3 22.4 1.0 OE1 A:GLU969 4.4 25.4 1.0 CA A:ILE1020 4.4 25.0 1.0 CG2 A:ILE1020 4.4 25.3 1.0 N A:ILE1020 4.4 24.7 1.0 CB A:ASP975 4.5 24.2 1.0 CB A:GLU969 4.5 25.6 1.0 N A:LEU970 4.5 25.0 1.0 CB A:ASN1019 4.5 25.4 1.0 CB A:ASN1483 4.5 22.2 1.0 O A:ILE976 4.6 26.7 1.0 O A:HOH1902 4.6 23.0 1.0 CA A:ASN1019 4.6 24.8 1.0 CA A:ASN1483 4.7 22.0 1.0 CA A:LEU970 4.8 26.1 1.0 OD1 A:ASN1574 4.9 30.2 1.0 C A:ASN1483 4.9 23.0 1.0

Calcium binding site 2 out of 2 in the 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 4,6-Alpha-Glucanotransferase Gtfb From Lactobacillus Reuteri 121 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1701 b:17.4 occ:1.00 OD1 B:ASN1483 2.2 14.5 1.0 O B:GLU969 2.3 19.0 1.0 OE2 B:GLU969 2.3 18.1 1.0 OD1 B:ASP975 2.4 16.8 1.0 O B:ASN1019 2.4 17.2 1.0 O B:HOH1861 2.4 18.4 1.0 OD2 B:ASP975 2.8 16.9 1.0 CG B:ASP975 3.0 17.1 1.0 CD B:GLU969 3.4 19.4 1.0 CG B:ASN1483 3.4 16.9 1.0 C B:GLU969 3.5 18.4 1.0 C B:ASN1019 3.6 19.7 1.0 CG B:GLU969 3.8 19.7 1.0 CA B:GLU969 4.1 19.2 1.0 ND2 B:ASN1483 4.1 17.3 1.0 O B:ASN1483 4.2 16.6 1.0 O B:HOH2139 4.3 18.7 1.0 CA B:ILE1020 4.4 18.8 1.0 CG2 B:ILE1020 4.4 18.6 1.0 OE1 B:GLU969 4.4 18.8 1.0 N B:ILE1020 4.5 19.2 1.0 CB B:ASP975 4.5 17.1 1.0 CB B:ASN1483 4.5 16.6 1.0 N B:LEU970 4.5 18.0 1.0 CB B:GLU969 4.5 19.8 1.0 CB B:ASN1019 4.5 19.4 1.0 O B:HOH1949 4.6 19.2 1.0 O B:ILE976 4.6 17.2 1.0 CA B:ASN1019 4.6 18.8 1.0 CA B:ASN1483 4.7 17.2 1.0 ND2 B:ASN1574 4.8 17.1 1.0 CA B:LEU970 4.8 18.9 1.0 C B:ASN1483 4.9 17.3 1.0

Y.Bai, J.Gangoiti, B.W.Dijkstra, L.Dijkhuizen, T.Pijning. Crystal Structure of 4,6-Alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes From Alpha-Amylases in Oral Bacteria. Structure V. 25 231 2017.
ISSN: ISSN 1878-4186
PubMed: 28065507
DOI: 10.1016/J.STR.2016.11.023