Calcium in PDB 7jjn: Eubacterium Rectale AMY13B (EUR_01860)

All present enzymatic activity of Eubacterium Rectale AMY13B (EUR_01860):
3.2.1.1;

The structure of Eubacterium Rectale AMY13B (EUR_01860), PDB code: 7jjn was solved by N.M.Koropatkin, D.W.Cockburn, F.M.Cerqueira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.07 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.18, 82.76, 85.86, 90, 92.86, 90
R / Rfree (%)	16.2 / 19.8

The binding sites of Calcium atom in the Eubacterium Rectale AMY13B (EUR_01860) (pdb code 7jjn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Eubacterium Rectale AMY13B (EUR_01860), PDB code: 7jjn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Eubacterium Rectale AMY13B (EUR_01860)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Eubacterium Rectale AMY13B (EUR_01860) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:37.2 occ:1.00 O A:HOH725 2.2 28.8 1.0 O A:ILE95 2.3 36.4 1.0 OD1 A:ASP89 2.3 36.6 1.0 OD1 A:ASP93 2.4 38.5 1.0 OD1 A:ASP91 2.4 44.2 1.0 OD2 A:ASP97 2.4 35.4 1.0 CG A:ASP93 3.2 40.2 1.0 CG A:ASP89 3.4 37.1 1.0 C A:ILE95 3.4 34.8 1.0 OD2 A:ASP93 3.4 40.5 1.0 CG A:ASP91 3.5 44.2 1.0 CG A:ASP97 3.5 34.8 1.0 CB A:ASP97 4.0 33.7 1.0 OD2 A:ASP91 4.0 46.4 1.0 N A:ILE95 4.1 36.3 1.0 CB A:ASP89 4.1 36.0 1.0 CA A:ILE95 4.2 35.7 1.0 CA A:ASP89 4.2 35.1 1.0 N A:ASP91 4.2 40.7 1.0 OD2 A:ASP89 4.2 38.9 1.0 N A:SER90 4.3 38.0 1.0 CB A:ILE95 4.4 36.1 1.0 N A:GLY96 4.4 34.3 1.0 N A:ASP93 4.5 41.3 1.0 C A:GLY96 4.5 33.0 1.0 CB A:ASP93 4.5 40.9 1.0 O A:GLN141 4.6 33.5 1.0 OD1 A:ASP97 4.6 35.2 1.0 CA A:GLY96 4.6 33.3 1.0 C A:ASP89 4.7 37.0 1.0 CB A:ASP91 4.7 43.8 1.0 N A:GLY92 4.7 42.3 1.0 O A:GLY96 4.7 33.1 1.0 N A:ASP97 4.7 32.5 1.0 CA A:ASP91 4.8 43.2 1.0 N A:GLY94 4.9 39.3 1.0 CA A:ASP93 4.9 41.2 1.0 C A:ASP91 5.0 43.5 1.0

Calcium binding site 2 out of 2 in the Eubacterium Rectale AMY13B (EUR_01860)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Eubacterium Rectale AMY13B (EUR_01860) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:40.2 occ:1.00 OD1 B:ASP89 2.2 39.9 1.0 O B:ILE95 2.3 39.4 1.0 O B:HOH724 2.3 42.7 1.0 OD1 B:ASP91 2.4 46.2 1.0 OD2 B:ASP97 2.4 39.4 1.0 OD1 B:ASP93 2.5 43.9 1.0 CG B:ASP93 3.4 45.5 1.0 CG B:ASP89 3.4 39.6 1.0 C B:ILE95 3.5 38.9 1.0 CG B:ASP91 3.5 46.9 1.0 CG B:ASP97 3.5 38.2 1.0 OD2 B:ASP93 3.7 45.4 1.0 CB B:ASP97 3.9 37.4 1.0 OD2 B:ASP91 4.0 48.3 1.0 CB B:ASP89 4.2 38.4 1.0 N B:ILE95 4.2 41.5 1.0 CA B:ILE95 4.3 40.0 1.0 N B:SER90 4.3 40.0 1.0 N B:ASP91 4.3 44.8 1.0 CA B:ASP89 4.3 37.8 1.0 OD2 B:ASP89 4.3 40.0 1.0 O B:GLN141 4.5 38.9 1.0 CB B:ILE95 4.5 40.4 1.0 C B:GLY96 4.5 36.3 1.0 N B:GLY96 4.5 37.3 1.0 N B:ASP93 4.5 47.7 1.0 OD1 B:ASP97 4.6 37.7 1.0 CA B:GLY96 4.6 36.6 1.0 N B:ASP97 4.7 35.7 1.0 CB B:ASP93 4.7 47.4 1.0 CB B:ASP91 4.7 47.3 1.0 N B:GLY92 4.7 47.9 1.0 O B:GLY96 4.7 36.1 1.0 C B:ASP89 4.7 39.0 1.0 CA B:ASP91 4.9 46.9 1.0 CG2 B:ILE95 4.9 38.8 1.0 CA B:ASP97 4.9 35.9 1.0

D.W.Cockburn, F.M.Cerqueira, C.M.E.Bahr, N.M.Koropatkin. The Structures of the GH13_36 Amylases From Eubacterium Rectale and Ruminococcus Bromii Reveal Subsite Architectures That Favor Maltose Production Amylase V. 4 24 2020.
ISSN: ESSN 2450-9728
DOI: 10.1515/AMYLASE-2020-0003