Zinc in PDB 8qy0: Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose

The structure of Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose, PDB code: 8qy0 was solved by A.Chikunova, M.Saberi, M.Ubbink, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.37 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.81, 79.81, 133.989, 90, 90, 90
R / Rfree (%)	16.5 / 19.7

The binding sites of Zinc atom in the Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose (pdb code 8qy0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose, PDB code: 8qy0:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:18.6 occ:1.00 NE2 A:HIS156 1.9 18.9 1.0 O8 A:BTB202 2.0 21.4 1.0 O6 A:BTB202 2.1 19.0 1.0 N A:BTB202 2.1 20.8 1.0 O4 A:BTB202 2.2 19.1 1.0 O3 A:BTB202 2.2 20.2 1.0 C2 A:BTB202 2.7 22.9 1.0 C4 A:BTB202 2.9 20.0 1.0 C7 A:BTB202 2.9 25.2 1.0 CE1 A:HIS156 2.9 21.1 1.0 CD2 A:HIS156 2.9 20.2 1.0 C8 A:BTB202 2.9 23.9 1.0 C6 A:BTB202 2.9 19.5 1.0 C3 A:BTB202 3.0 20.8 1.0 C5 A:BTB202 3.0 22.1 1.0 ND1 A:HIS156 4.0 19.9 1.0 O A:THR97 4.0 18.4 1.0 CG A:HIS156 4.0 19.4 1.0 O A:HOH302 4.1 31.9 1.0 C1 A:BTB202 4.2 27.8 1.0 OG A:SER155 4.4 30.2 1.0 N A:THR97 4.8 17.3 1.0 O1 A:BTB202 4.9 32.4 1.0

Zinc binding site 2 out of 2 in the Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:18.3 occ:1.00 CE1 B:HIS156 1.9 17.7 1.0 N B:BTB202 2.1 18.6 1.0 O6 B:BTB202 2.2 16.2 1.0 O8 B:BTB202 2.2 17.3 1.0 O1 B:BTB202 2.2 15.1 1.0 O3 B:BTB202 2.3 16.3 1.0 C2 B:BTB202 2.8 18.9 1.0 C5 B:BTB202 2.9 20.9 1.0 NE2 B:HIS156 2.9 17.7 1.0 C6 B:BTB202 2.9 18.2 1.0 C8 B:BTB202 2.9 18.5 1.0 ND1 B:HIS156 3.0 19.8 1.0 C3 B:BTB202 3.0 16.6 1.0 C1 B:BTB202 3.0 17.2 1.0 C7 B:BTB202 3.0 18.9 1.0 CD2 B:HIS156 4.0 15.9 1.0 O B:THR97 4.0 16.0 1.0 CG B:HIS156 4.1 17.7 1.0 O B:HOH306 4.1 32.5 1.0 C4 B:BTB202 4.3 23.1 1.0 OG B:SER155 4.4 27.3 1.0 N B:THR97 4.8 17.0 1.0 O4 B:BTB202 4.9 26.8 1.0

M.Saberi, A.Chikunova, M.Ubbink. Bimodal Substrate Binding in the Active Site of the Glycosidase Bcx Febs J. 2024.
ISSN: ISSN 1742-464X
DOI: 10.1111/FEBS.17251