Calcium in PDB 4ayg: Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form

All present enzymatic activity of Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form:
2.4.1.5;

The structure of Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form, PDB code: 4ayg was solved by T.Pijning, A.Vujicic-Zagar, S.Kralj, L.Dijkhuizen, B.W.Dijkstra, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.792, 147.363, 244.374, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.3

The binding sites of Calcium atom in the Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form (pdb code 4ayg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form, PDB code: 4ayg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2770 b:8.7 occ:1.00 O A:GLU979 2.3 9.1 1.0 O A:ASN1029 2.3 8.5 1.0 OD1 A:ASP985 2.4 7.6 1.0 OE2 A:GLU979 2.4 8.9 1.0 O A:HOH3241 2.4 5.7 1.0 OD1 A:ASP1508 2.4 8.2 1.0 OD2 A:ASP985 2.7 7.7 1.0 CG A:ASP985 2.9 7.7 1.0 CD A:GLU979 3.3 9.0 1.0 C A:GLU979 3.4 9.0 1.0 C A:ASN1029 3.5 8.2 1.0 CG A:ASP1508 3.6 8.2 1.0 CG A:GLU979 3.8 8.9 1.0 CA A:GLU979 4.0 9.1 1.0 OD2 A:ASP1508 4.1 8.1 1.0 O A:ASP1508 4.2 8.1 1.0 CG1 A:VAL1030 4.3 7.3 1.0 CB A:ASP985 4.4 7.8 1.0 OE1 A:GLU979 4.4 8.7 1.0 CB A:ASN1029 4.4 8.8 1.0 CA A:VAL1030 4.4 7.7 1.0 O A:ILE986 4.4 7.9 1.0 N A:VAL1030 4.4 7.8 1.0 O A:HOH3240 4.4 7.7 1.0 CA A:ASN1029 4.5 8.5 1.0 CB A:GLU979 4.5 9.1 1.0 N A:PHE980 4.6 9.1 1.0 O A:HOH3242 4.6 8.8 1.0 ND2 A:ASN1597 4.7 7.3 1.0 CB A:ASP1508 4.7 8.0 1.0 CA A:ASP1508 4.8 8.1 1.0 CA A:PHE980 4.9 9.3 1.0 C A:ASP1508 5.0 8.2 1.0 CB A:VAL1030 5.0 7.6 1.0

Calcium binding site 2 out of 2 in the Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lactobacillus Reuteri N-Terminally Truncated Glucansucrase GTF180 in Orthorhombic Apo-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2772 b:13.1 occ:1.00 O B:GLU979 2.3 12.8 1.0 OD1 B:ASP985 2.3 12.0 1.0 OE2 B:GLU979 2.3 13.2 1.0 O B:ASN1029 2.3 12.1 1.0 O B:HOH3242 2.4 9.4 1.0 OD1 B:ASP1508 2.4 12.2 1.0 OD2 B:ASP985 2.7 12.0 1.0 CG B:ASP985 2.8 12.1 1.0 CD B:GLU979 3.3 13.2 1.0 C B:GLU979 3.4 12.8 1.0 C B:ASN1029 3.6 11.7 1.0 CG B:ASP1508 3.6 12.1 1.0 CG B:GLU979 3.7 13.0 1.0 CA B:GLU979 4.0 12.8 1.0 OD2 B:ASP1508 4.1 12.1 1.0 O B:ASP1508 4.2 13.0 1.0 OE1 B:GLU979 4.3 13.4 1.0 O B:HOH3241 4.3 11.2 1.0 CB B:ASP985 4.3 12.3 1.0 CG1 B:VAL1030 4.3 11.2 1.0 CB B:ASN1029 4.4 11.6 1.0 CA B:VAL1030 4.4 11.4 1.0 O B:ILE986 4.4 13.2 1.0 CB B:GLU979 4.4 12.8 1.0 N B:VAL1030 4.4 11.4 1.0 CA B:ASN1029 4.5 11.6 1.0 N B:PHE980 4.5 12.9 1.0 O B:HOH3243 4.7 11.9 1.0 ND2 B:ASN1597 4.7 12.6 1.0 CB B:ASP1508 4.7 11.9 1.0 CA B:ASP1508 4.8 12.2 1.0 CA B:PHE980 4.9 13.2 1.0 C B:ASP1508 4.9 12.5 1.0 CB B:VAL1030 5.0 11.3 1.0

T.Pijning, A.Vujicic-Zagar, S.Kralj, L.Dijkhuizen, B.W.Dijkstra. Flexibility of Truncated and Full-Length Glucansucrase GTF180 Enzymes From Lactobacillus Reuteri 180. Febs J. V. 281 2159 2014.
ISSN: ISSN 1742-464X
PubMed: 24597929
DOI: 10.1111/FEBS.12769