Calcium in PDB 8ids: Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose

The structure of Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose, PDB code: 8ids was solved by W.Auiewiriyanukul, W.Saburi, J.Yu, K.Kato, M.Yao, H.Mori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.74 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.517, 89.202, 128.282, 90, 90, 90
R / Rfree (%)	16.5 / 18.6

The binding sites of Calcium atom in the Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose (pdb code 8ids). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose, PDB code: 8ids:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:14.7 occ:1.00 O A:HOH726 2.3 22.3 1.0 OD1 A:ASN23 2.3 17.4 1.0 O A:ILE27 2.3 14.7 1.0 OD1 A:ASP21 2.3 14.7 1.0 OD1 A:ASP25 2.4 18.0 1.0 OD2 A:ASP29 2.4 16.2 1.0 CG A:ASP25 3.3 19.7 1.0 CG A:ASP21 3.3 15.9 1.0 CG A:ASN23 3.4 21.4 1.0 CG A:ASP29 3.4 16.0 1.0 C A:ILE27 3.5 15.0 1.0 OD2 A:ASP25 3.6 20.6 1.0 CB A:ASP29 3.9 14.1 1.0 ND2 A:ASN23 4.0 29.0 1.0 N A:ILE27 4.1 16.6 1.0 OD2 A:ASP21 4.1 15.9 1.0 N A:ASN23 4.1 16.6 1.0 CA A:ILE27 4.2 16.4 1.0 CB A:ASP21 4.2 14.6 1.0 CA A:ASP21 4.2 14.9 1.0 N A:SER22 4.3 14.9 1.0 CB A:ILE27 4.3 16.0 1.0 C A:GLY28 4.4 13.5 1.0 N A:ASP25 4.5 16.6 1.0 OD1 A:ASP29 4.5 16.3 1.0 O A:ASP74 4.6 19.6 1.0 O A:GLY28 4.6 15.3 1.0 CB A:ASP25 4.6 16.2 1.0 CB A:ASN23 4.6 16.6 1.0 N A:GLY28 4.6 12.6 1.0 O A:HOH1118 4.6 36.5 1.0 CA A:ASN23 4.7 18.4 1.0 N A:ASP29 4.7 12.7 1.0 C A:ASP21 4.7 16.0 1.0 CA A:GLY28 4.7 12.4 1.0 N A:GLY24 4.8 16.5 1.0 C A:ASN23 4.8 17.3 1.0 CA A:ASP25 4.9 15.1 1.0 N A:GLY26 4.9 14.4 1.0 CA A:ASP29 5.0 12.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Bacillus Sp. AHU2216 GH13_31 Alpha-Glucosidase E256Q/N258P in Complex with Maltotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:16.6 occ:1.00 O A:HOH1091 2.3 18.3 1.0 OE1 A:GLU537 2.4 16.4 1.0 O A:HOH937 2.4 17.2 1.0 O A:THR543 2.4 14.8 1.0 O A:HOH1160 2.4 22.1 1.0 O A:HOH826 2.4 16.7 1.0 OG1 A:THR543 2.5 16.1 1.0 CD A:GLU537 3.4 17.4 1.0 C A:THR543 3.4 14.2 1.0 CB A:THR543 3.5 15.2 1.0 OE2 A:GLU537 3.9 20.4 1.0 CA A:THR543 3.9 15.0 1.0 NH2 A:ARG550 4.2 17.9 1.0 N A:THR543 4.3 15.5 1.0 O A:HOH928 4.3 20.6 1.0 NE2 A:HIS545 4.4 18.3 1.0 CB A:ASP534 4.5 22.4 1.0 O A:HOH915 4.5 19.7 1.0 O A:HOH1061 4.6 21.5 1.0 OD1 A:ASP534 4.6 26.7 1.0 CG A:GLU537 4.6 23.2 1.0 N A:LEU544 4.6 13.8 1.0 O A:HOH990 4.7 25.4 1.0 CD2 A:HIS545 4.7 18.7 1.0 O A:HOH740 4.8 20.5 1.0 CG2 A:THR543 4.8 17.6 1.0 O A:HOH936 4.9 22.2 1.0 CE1 A:HIS545 4.9 22.5 1.0 OE1 A:GLU548 4.9 15.0 1.0

W.Auiewiriyanukul, W.Saburi, T.Ota, J.Yu, K.Kato, M.Yao, H.Mori. Alteration of Substrate Specificity and Transglucosylation Activity of GH13_31 Alpha-Glucosidase From Bacillus Sp. AHU2216 Through Site-Directed Mutagenesis of ASN258 on Beta → Alpha Loop 5. Molecules V. 28 2023.
ISSN: ESSN 1420-3049
PubMed: 37049872
DOI: 10.3390/MOLECULES28073109