Zinc in PDB 4eez: Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1

All present enzymatic activity of Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1:
1.1.1.1;

The structure of Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1, PDB code: 4eez was solved by X.Liu, S.Bastian, C.D.Snow, E.M.Brustad, T.Saleski, J.H.Xu, P.Meinhold, F.H.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.79 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	124.396, 126.546, 94.225, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.8

The binding sites of Zinc atom in the Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1 (pdb code 4eez). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1, PDB code: 4eez:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:24.6 occ:1.00 SG A:CYS105 2.3 25.0 1.0 SG A:CYS94 2.3 22.7 1.0 SG A:CYS91 2.4 23.9 1.0 SG A:CYS97 2.4 26.0 1.0 CB A:CYS105 3.3 22.1 1.0 CB A:CYS94 3.4 20.2 1.0 CB A:CYS97 3.5 23.6 1.0 CB A:CYS91 3.5 25.7 1.0 N A:CYS91 3.5 22.8 1.0 N A:CYS94 3.9 21.0 1.0 N A:GLY92 3.9 27.3 1.0 CA A:CYS91 3.9 25.2 1.0 CA A:CYS105 3.9 20.8 1.0 N A:CYS97 4.2 20.7 1.0 O A:HOH672 4.2 41.0 1.0 CA A:CYS94 4.2 21.6 1.0 O A:HOH507 4.3 26.6 1.0 C A:CYS91 4.3 27.1 1.0 CA A:CYS97 4.4 23.4 1.0 N A:HIS93 4.5 23.2 1.0 C A:GLY90 4.6 24.2 1.0 O A:HOH654 4.7 34.4 1.0 C A:CYS105 4.8 21.8 1.0 C A:CYS94 4.9 20.6 1.0 CA A:GLY90 4.9 22.4 1.0 CA A:GLY92 4.9 26.2 1.0 O A:CYS94 5.0 19.6 1.0 N A:ARG106 5.0 22.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:30.9 occ:1.00 O A:HOH505 2.1 25.9 1.0 NE2 A:HIS60 2.2 23.1 1.0 SG A:CYS39 2.3 28.3 1.0 SG A:CYS147 2.4 27.3 1.0 CD2 A:HIS60 3.0 25.2 1.0 CE1 A:HIS60 3.3 25.2 1.0 CB A:CYS39 3.3 25.1 1.0 CB A:CYS147 3.4 20.1 1.0 O A:HOH565 3.5 41.6 1.0 O A:HOH710 4.0 41.9 1.0 CB A:THR41 4.0 24.7 1.0 OG1 A:THR41 4.1 28.7 1.0 CG A:HIS60 4.2 21.4 1.0 ND1 A:HIS60 4.3 22.4 1.0 NH2 A:ARG333 4.7 27.2 1.0 CA A:CYS39 4.7 24.8 1.0 CA A:CYS147 4.8 19.2 1.0 N A:THR41 4.8 22.0 1.0 CG2 A:THR41 4.9 23.8 1.0 OE2 A:GLU61 4.9 30.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:22.5 occ:1.00 SG B:CYS97 2.3 18.4 1.0 SG B:CYS94 2.4 20.0 1.0 SG B:CYS91 2.4 25.8 1.0 SG B:CYS105 2.4 22.3 1.0 CB B:CYS105 3.2 21.4 1.0 CB B:CYS94 3.4 22.5 1.0 CB B:CYS91 3.5 25.9 1.0 CB B:CYS97 3.5 20.2 1.0 N B:CYS91 3.5 26.1 1.0 N B:GLY92 3.8 22.5 1.0 N B:CYS94 3.8 21.6 1.0 CA B:CYS91 3.9 25.5 1.0 CA B:CYS105 3.9 20.8 1.0 N B:CYS97 4.2 18.8 1.0 CA B:CYS94 4.2 21.7 1.0 C B:CYS91 4.3 24.6 1.0 O B:HOH521 4.4 25.9 1.0 CA B:CYS97 4.4 19.6 1.0 O B:HOH663 4.4 35.9 1.0 N B:HIS93 4.5 21.0 1.0 C B:GLY90 4.6 26.1 1.0 C B:CYS105 4.8 22.3 1.0 O B:HOH664 4.8 43.9 1.0 C B:CYS94 4.8 19.8 1.0 CA B:GLY92 4.8 22.8 1.0 CA B:GLY90 4.9 24.6 1.0 N B:ARG106 4.9 22.0 1.0 C B:GLY92 5.0 23.0 1.0 O B:CYS94 5.0 19.9 1.0 C B:HIS93 5.0 21.8 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Lactococcus Lactis Alcohol Dehydrogenase Variant RE1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:39.0 occ:1.00 OE2 B:GLU61 2.2 31.3 1.0 NE2 B:HIS60 2.3 33.0 1.0 SG B:CYS39 2.4 37.1 1.0 SG B:CYS147 2.4 36.0 1.0 CB B:CYS39 2.9 31.2 1.0 CD2 B:HIS60 3.2 27.6 1.0 CB B:CYS147 3.3 29.3 1.0 CD B:GLU61 3.3 27.8 1.0 CE1 B:HIS60 3.3 32.8 1.0 CG B:GLU61 3.6 19.4 1.0 NH2 B:ARG333 3.9 46.2 1.0 O B:HOH674 4.3 46.3 1.0 CA B:CYS39 4.3 31.6 1.0 OE1 B:GLU61 4.4 29.8 1.0 CG B:HIS60 4.4 24.5 1.0 ND1 B:HIS60 4.4 31.0 1.0 NE B:ARG333 4.5 39.3 1.0 CZ B:ARG333 4.6 46.4 1.0 O B:HOH507 4.7 36.7 1.0 CA B:CYS147 4.7 27.0 1.0 O B:HOH512 4.8 27.3 1.0 CB B:THR41 5.0 29.4 1.0

X.Liu, S.Bastian, C.D.Snow, E.M.Brustad, T.E.Saleski, J.H.Xu, P.Meinhold, F.H.Arnold. Structure-Guided Engineering of Lactococcus Lactis Alcohol Dehydrogenase Lladha For Improved Conversion of Isobutyraldehyde to Isobutanol. J.Biotechnol. V. 164 188 2012.
ISSN: ISSN 0168-1656
PubMed: 22974724
DOI: 10.1016/J.JBIOTEC.2012.08.008