Zinc in PDB 8qy1: Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylohexaose

The structure of Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylohexaose, PDB code: 8qy1 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)	51.06 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.05, 78.05, 133.51, 90, 90, 90
R / Rfree (%)	19.4 / 23.8

The binding sites of Zinc atom in the Xylanase From Bacillus Circulans Mutant E78Q/Y69A Bound to Xylohexaose (pdb code 8qy1). 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 Xylohexaose, PDB code: 8qy1:
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 Xylohexaose


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 Xylohexaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:24.8 occ:1.00 NE2 A:HIS156 1.9 22.7 1.0 O6 A:BTB202 2.0 27.9 1.0 N A:BTB202 2.0 28.8 1.0 O8 A:BTB202 2.2 20.2 1.0 O1 A:BTB202 2.3 23.1 1.0 O4 A:BTB202 2.3 27.1 1.0 C2 A:BTB202 2.7 29.3 1.0 C7 A:BTB202 2.8 26.7 1.0 C8 A:BTB202 2.9 22.6 1.0 CD2 A:HIS156 2.9 24.0 1.0 CE1 A:HIS156 2.9 25.6 1.0 C6 A:BTB202 2.9 28.8 1.0 C1 A:BTB202 2.9 26.1 1.0 C4 A:BTB202 3.0 28.2 1.0 C5 A:BTB202 3.0 29.3 1.0 O A:HOH301 4.0 33.7 1.0 ND1 A:HIS156 4.0 22.5 1.0 O A:THR97 4.0 23.3 1.0 CG A:HIS156 4.0 23.6 1.0 C3 A:BTB202 4.2 32.5 1.0 OG A:SER155 4.3 33.3 1.0 N A:THR97 4.8 23.1 1.0 O3 A:BTB202 4.9 37.2 1.0

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


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 Xylohexaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:25.6 occ:1.00 NE2 B:HIS156 1.9 22.9 1.0 O6 B:BTB202 2.0 30.6 1.0 N B:BTB202 2.1 35.4 1.0 O8 B:BTB202 2.2 22.5 1.0 O4 B:BTB202 2.2 28.3 1.0 O3 B:BTB202 2.3 28.9 1.0 CE1 B:HIS156 2.8 24.5 1.0 C2 B:BTB202 2.8 36.3 1.0 C8 B:BTB202 2.9 27.7 1.0 C7 B:BTB202 2.9 34.2 1.0 C4 B:BTB202 2.9 33.8 1.0 C6 B:BTB202 3.0 35.0 1.0 CD2 B:HIS156 3.0 23.1 1.0 C3 B:BTB202 3.1 32.0 1.0 C5 B:BTB202 3.1 37.0 1.0 ND1 B:HIS156 4.0 23.4 1.0 O B:THR97 4.1 24.5 1.0 CG B:HIS156 4.1 24.6 1.0 C1 B:BTB202 4.3 41.8 1.0 OG B:SER155 4.4 37.7 1.0 N B:THR97 4.7 22.4 1.0 O1 B:BTB202 4.9 47.8 1.0 CA B:GLY96 4.9 23.6 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