Zinc in PDB 6ie0: X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis

All present enzymatic activity of X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis:
1.1.1.4;

The structure of X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis, PDB code: 6ie0 was solved by X.F.Wang, Y.B.Feng, F.L.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.71 / 2.98
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	200.839, 200.839, 83.266, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.8

The binding sites of Zinc atom in the X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis (pdb code 6ie0). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis, PDB code: 6ie0:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis


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 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:54.0 occ:1.00 SG A:CYS37 2.1 42.3 1.0 NE2 A:HIS70 2.3 22.0 1.0 CD2 A:HIS70 2.8 31.9 1.0 OE2 A:GLU152 3.2 28.1 1.0 OE1 A:GLU71 3.4 47.7 1.0 CE1 A:HIS70 3.6 26.3 1.0 CB A:CYS37 3.6 30.4 1.0 OE1 A:GLU152 3.6 41.6 1.0 CD A:GLU152 3.8 31.0 1.0 CG A:HIS70 4.1 27.1 1.0 CD A:GLU71 4.2 39.1 1.0 CG A:GLU71 4.3 32.5 1.0 ND1 A:HIS70 4.4 27.1 1.0 CA A:CYS37 4.6 36.0 1.0 OG A:SER39 4.7 39.0 1.0

Zinc binding site 2 out of 4 in the X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis


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 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn400 b:62.5 occ:1.00 NE2 B:HIS70 1.9 40.3 1.0 SG B:CYS37 2.2 49.0 1.0 CD2 B:HIS70 2.7 44.9 1.0 CE1 B:HIS70 3.1 36.3 1.0 OE1 B:GLU152 3.4 38.8 1.0 CB B:CYS37 3.4 36.6 1.0 OE2 B:GLU152 3.7 41.1 1.0 OE2 B:GLU71 3.7 47.2 1.0 CG B:HIS70 3.9 38.5 1.0 CD B:GLU152 3.9 39.1 1.0 ND1 B:HIS70 4.0 34.9 1.0 OG B:SER39 4.2 60.3 1.0 CD B:GLU71 4.6 46.9 1.0 CG B:GLU71 4.6 50.5 1.0 CA B:CYS37 4.7 53.6 1.0 CB B:SER39 4.8 32.0 1.0 CG2 B:VAL156 4.9 20.9 1.0

Zinc binding site 3 out of 4 in the X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn400 b:59.9 occ:1.00 NE2 C:HIS70 2.0 40.2 1.0 SG C:CYS37 2.2 55.9 1.0 CD2 C:HIS70 2.6 40.8 1.0 CB C:CYS37 3.1 31.9 1.0 OE2 C:GLU71 3.2 50.5 1.0 OE1 C:GLU152 3.2 46.4 1.0 CE1 C:HIS70 3.3 40.4 1.0 OE2 C:GLU152 3.7 48.3 1.0 CD C:GLU152 3.8 48.5 1.0 CG C:HIS70 3.8 39.8 1.0 CD C:GLU71 4.1 55.9 1.0 ND1 C:HIS70 4.1 37.5 1.0 CG C:GLU71 4.2 66.9 1.0 CA C:CYS37 4.3 49.7 1.0 OG C:SER39 4.4 68.0 1.0 CB C:SER39 4.9 61.8 1.0

Zinc binding site 4 out of 4 in the X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn400 b:86.9 occ:1.00 NE2 D:HIS70 2.0 76.5 1.0 CE1 D:HIS70 2.2 76.9 1.0 SG D:CYS37 2.3 0.8 1.0 CB D:CYS37 3.1 98.2 1.0 CD2 D:HIS70 3.2 75.9 1.0 ND1 D:HIS70 3.4 73.0 1.0 OG D:SER39 3.6 80.5 1.0 CG D:HIS70 3.9 72.3 1.0 OE1 D:GLU152 3.9 58.4 1.0 OE2 D:GLU71 3.9 68.9 1.0 CB D:SER39 4.1 71.3 1.0 OE2 D:GLU152 4.1 56.7 1.0 CD D:GLU152 4.4 60.3 1.0 CA D:CYS37 4.5 90.2 1.0

X.F.Wang, Y.B.Feng, F.L.Ji. X-Ray Crystal Structure of 2R,3R-Butanediol Dehydrogenase From Bacillus Subtilis To Be Published.