Calcium in PDB 7p39: 4,6-Alpha-Glucanotransferase Gtfb From Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose

All present enzymatic activity of 4,6-Alpha-Glucanotransferase Gtfb From Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose:
2.4.1.5;

The structure of 4,6-Alpha-Glucanotransferase Gtfb From Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose, PDB code: 7p39 was solved by T.Pijning, E.Te Poele, J.Gangoiti, T.Boerner, L.Dijkhuizen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.29 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	107.219, 133.806, 147.866, 90, 90, 90
R / Rfree (%)	29.3 / 31.5

The binding sites of Calcium atom in the 4,6-Alpha-Glucanotransferase Gtfb From Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose (pdb code 7p39). 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 Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose, PDB code: 7p39:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 4,6-Alpha-Glucanotransferase Gtfb From Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose


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 Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1301 b:29.8 occ:1.00 O A:HIS683 2.3 35.0 1.0 OD1 A:ASN1139 2.4 35.4 1.0 O A:GLU633 2.6 32.4 1.0 OE2 A:GLU633 2.6 33.0 1.0 OD1 A:ASP639 2.7 31.3 1.0 OD2 A:ASP639 2.9 31.4 1.0 CG A:ASP639 3.2 31.4 1.0 CD A:GLU633 3.5 33.2 1.0 C A:HIS683 3.5 34.9 1.0 CG A:ASN1139 3.6 35.3 1.0 C A:GLU633 3.6 32.6 1.0 CG A:GLU633 3.7 33.2 1.0 CA A:GLU633 4.1 33.1 1.0 O A:ASN1139 4.1 35.3 1.0 CA A:ILE684 4.2 34.7 1.0 CG2 A:ILE684 4.2 34.4 1.0 N A:ILE684 4.3 34.7 1.0 CB A:ASN1139 4.4 35.4 1.0 CA A:ASN1139 4.4 35.5 1.0 CB A:GLU633 4.5 33.2 1.0 O A:ILE640 4.5 31.7 1.0 OE1 A:GLU633 4.5 33.6 1.0 ND2 A:ASN1139 4.6 35.2 1.0 CB A:HIS683 4.6 34.9 1.0 CA A:HIS683 4.6 35.0 1.0 CB A:ASP639 4.7 31.2 1.0 C A:ASN1139 4.7 35.4 1.0 N A:PHE634 4.7 31.9 1.0 CB A:ILE684 4.8 34.5 1.0 ND2 A:ASN1230 4.8 32.5 1.0

Calcium binding site 2 out of 2 in the 4,6-Alpha-Glucanotransferase Gtfb From Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose


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 Limosilactobacillus Reuteri Ncc 2613 Complexed with Acarbose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1301 b:27.8 occ:1.00 O B:HIS683 2.3 34.6 1.0 OD1 B:ASN1139 2.4 34.5 1.0 OE2 B:GLU633 2.6 31.5 1.0 O B:GLU633 2.6 32.2 1.0 OD1 B:ASP639 2.7 32.9 1.0 OD2 B:ASP639 2.9 33.0 1.0 CG B:ASP639 3.2 32.9 1.0 CD B:GLU633 3.5 31.9 1.0 C B:HIS683 3.5 34.3 1.0 CG B:ASN1139 3.6 34.4 1.0 C B:GLU633 3.6 32.2 1.0 CG B:GLU633 3.7 32.1 1.0 O B:ASN1139 4.1 34.9 1.0 CA B:GLU633 4.1 32.3 1.0 CA B:ILE684 4.2 34.6 1.0 CG2 B:ILE684 4.2 34.5 1.0 N B:ILE684 4.3 34.4 1.0 CB B:ASN1139 4.4 34.5 1.0 CA B:ASN1139 4.4 34.7 1.0 O B:ILE640 4.5 31.9 1.0 CB B:GLU633 4.5 32.2 1.0 OE1 B:GLU633 4.5 32.1 1.0 ND2 B:ASN1139 4.6 34.4 1.0 CB B:HIS683 4.6 33.8 1.0 CA B:HIS683 4.6 34.1 1.0 CB B:ASP639 4.6 32.6 1.0 C B:ASN1139 4.7 34.8 1.0 N B:PHE634 4.8 31.9 1.0 ND2 B:ASN1230 4.8 32.2 1.0 CB B:ILE684 4.8 34.5 1.0

T.Pijning, J.Gangoiti, T.Borner, L.Dijkhuizen. Insights Into Broad-Specificity Starch Modification From the Crystal Structure of Limosilactobacillus Reuteri Ncc 2613 4,6-Alpha-Glucanotransferase Gtfb J.Agric.Food Chem. 2021.
ISSN: ESSN 1520-5118
DOI: 10.1021/ACS.JAFC.1C05657