Zinc in PDB 5xne: X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168

All present enzymatic activity of X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168:
4.1.1.5;

The structure of X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168, PDB code: 5xne was solved by F.Ji, M.Li, Y.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.78 / 1.50
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	71.303, 71.303, 84.134, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22.7

The binding sites of Zinc atom in the X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168 (pdb code 5xne). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168, PDB code: 5xne:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:16.4 occ:1.00 O B:HOH598 2.2 16.5 1.0 NE2 B:HIS193 2.2 7.4 1.0 NE2 B:HIS191 2.3 11.6 1.0 O B:HOH430 2.3 19.4 1.0 O B:HOH411 2.3 16.3 1.0 ND1 B:HIS204 2.3 12.4 1.0 CE1 B:HIS204 3.1 13.7 1.0 CE1 B:HIS191 3.2 11.2 1.0 CE1 B:HIS193 3.2 7.6 1.0 CD2 B:HIS193 3.2 7.4 1.0 CD2 B:HIS191 3.3 9.9 1.0 CG B:HIS204 3.4 10.5 1.0 CB B:HIS204 3.8 9.2 1.0 OE1 B:GLU62 3.9 13.8 1.0 OE1 B:GLU251 4.0 19.2 1.0 NH2 B:ARG142 4.0 18.3 1.0 NE2 B:HIS204 4.3 13.2 1.0 ND1 B:HIS191 4.3 11.5 1.0 ND1 B:HIS193 4.3 8.6 1.0 CG B:HIS193 4.4 7.1 1.0 CG B:HIS191 4.4 9.1 1.0 CD2 B:HIS204 4.4 14.2 1.0 CA B:HIS204 4.7 9.7 1.0 CZ B:ARG142 5.0 17.2 1.0 CD B:GLU62 5.0 11.1 1.0

Zinc binding site 2 out of 2 in the X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of X-Ray Crystal Structure of Alpha-Acetolactate Decarboxylase From Bacillus Subtilis Strain 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.4 occ:1.00 O A:HOH584 2.2 15.4 1.0 NE2 A:HIS193 2.2 7.1 1.0 NE2 A:HIS191 2.2 10.7 1.0 O A:HOH414 2.3 15.7 1.0 ND1 A:HIS204 2.3 13.0 1.0 O A:HOH423 2.3 19.9 1.0 CE1 A:HIS204 3.1 13.8 1.0 CE1 A:HIS191 3.1 11.6 1.0 CE1 A:HIS193 3.2 7.2 1.0 CD2 A:HIS193 3.2 7.6 1.0 CD2 A:HIS191 3.3 9.6 1.0 CG A:HIS204 3.4 10.7 1.0 NH2 A:ARG142 3.8 21.8 1.0 CB A:HIS204 3.8 9.4 1.0 OE1 A:GLU62 3.9 13.7 1.0 OE1 A:GLU251 4.0 19.2 1.0 NE2 A:HIS204 4.3 14.6 1.0 ND1 A:HIS191 4.3 11.6 1.0 ND1 A:HIS193 4.3 8.1 1.0 CG A:HIS193 4.4 6.9 1.0 CG A:HIS191 4.4 9.6 1.0 CD2 A:HIS204 4.4 13.8 1.0 CA A:HIS204 4.7 9.4 1.0 CZ A:ARG142 4.8 18.7 1.0 CD A:GLU62 5.0 11.0 1.0

F.Ji, M.Li, Y.Feng, S.Wu, T.Wang, Z.Pu, J.Wang, Y.Yang, S.Xue, Y.Bao. Structural and Enzymatic Characterization of Acetolactate Decarboxylase From Bacillus Subtilis Appl. Microbiol. Biotechnol. V. 102 6479 2018.
ISSN: ESSN 1432-0614
PubMed: 29796971
DOI: 10.1007/S00253-018-9049-7