Calcium in PDB 5gln: Crystal Structure of COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form

The structure of Crystal Structure of COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form, PDB code: 5gln was solved by T.Matsuzawa, N.Kishine, Z.Fujimoto, K.Yaoi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.51 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.760, 61.587, 78.922, 90.00, 95.84, 90.00
R / Rfree (%)	15.8 / 17.4

The structure of Crystal Structure of COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form (pdb code 5gln). 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 COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form, PDB code: 5gln:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form


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 COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:7.7 occ:1.00 O A:HOH1250 2.4 5.5 1.0 O A:HOH1252 2.4 7.7 1.0 O A:HOH1251 2.4 6.8 1.0 O A:HOH1249 2.5 6.8 1.0 O A:HOH1501 2.5 7.8 1.0 O A:HOH1388 2.5 8.1 1.0 NE2 A:HIS319 2.6 8.3 1.0 CD2 A:HIS319 3.5 8.3 1.0 CE1 A:HIS319 3.6 8.4 1.0 OG A:SER59 3.8 7.9 1.0 O A:PRO178 4.1 8.2 1.0 O A:ALA270 4.3 7.3 1.0 O A:PRO127 4.3 9.6 1.0 CB A:ALA126 4.4 9.1 1.0 O A:HIS320 4.4 7.5 1.0 CG A:HIS319 4.7 8.3 1.0 CA A:ALA269 4.7 7.3 1.0 ND1 A:HIS319 4.7 8.3 1.0 CE3 A:TRP271 4.8 7.2 1.0 O A:ASP57 4.8 8.0 1.0 O A:ASP177 4.8 8.2 1.0 C A:ALA269 4.8 7.2 1.0 O A:ALA269 4.9 7.2 1.0 CB A:ASP177 5.0 8.1 1.0 C A:ASP177 5.0 8.0 1.0 C A:PRO178 5.0 8.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form


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 COXYL43, GH43 Beta-Xylosidase/Alpha- Arabinofuranosidase From A Compostmicrobial Metagenome in Complex with Xylotriose, Calcium-Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:9.2 occ:1.00 O B:HOH1017 2.3 9.8 1.0 O B:HOH1173 2.4 7.9 1.0 O B:HOH1014 2.4 8.2 1.0 O B:HOH1016 2.4 8.2 1.0 O B:HOH1174 2.5 8.8 1.0 O B:HOH1013 2.6 7.7 1.0 NE2 B:HIS319 2.6 8.8 1.0 CD2 B:HIS319 3.5 8.9 1.0 CE1 B:HIS319 3.5 8.9 1.0 OG B:SER59 3.8 9.6 1.0 O B:PRO178 4.0 10.2 1.0 O B:ALA270 4.3 9.5 1.0 O B:PRO127 4.3 10.1 1.0 CB B:ALA126 4.4 10.8 1.0 O B:HIS320 4.4 9.6 1.0 CG B:HIS319 4.7 8.8 1.0 ND1 B:HIS319 4.7 8.7 1.0 CA B:ALA269 4.7 9.3 1.0 O B:ASP57 4.8 9.3 1.0 CE3 B:TRP271 4.8 9.9 1.0 O B:ASP177 4.9 10.0 1.0 C B:ALA269 4.9 9.2 1.0 CB B:ASP177 5.0 10.3 1.0 C B:PRO178 5.0 10.2 1.0 C B:ASP177 5.0 10.0 1.0 O B:ALA269 5.0 9.5 1.0

T.Matsuzawa, S.Kaneko, N.Kishine, Z.Fujimoto, K.Yaoi. Crystal Structure of Metagenomic Beta-Xylosidase/ Alpha-L-Arabinofuranosidase Activated By Calcium. J. Biochem. V. 162 173 2017.
ISSN: ISSN 1756-2651
PubMed: 28204531
DOI: 10.1093/JB/MVX012