Atomistry » Chlorine » PDB 4uhm-4utw » 4usa
Atomistry »
  Chlorine »
    PDB 4uhm-4utw »
      4usa »

Chlorine in PDB 4usa: Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

Enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

All present enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde:
1.2.99.7;

Protein crystallography data

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde, PDB code: 4usa was solved by H.D.Correia, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 123.97 / 1.13
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 143.143, 143.143, 161.954, 90.00, 90.00, 120.00
R / Rfree (%) 10.165 / 12.172

Other elements in 4usa:

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde also contains other interesting chemical elements:

Molybdenum (Mo) 1 atom
Magnesium (Mg) 4 atoms
Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde (pdb code 4usa). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde, PDB code: 4usa:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4usa

Go back to Chlorine Binding Sites List in 4usa
Chlorine binding site 1 out of 2 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl919

b:14.2
occ:1.00
O A:HOH2814 3.2 21.6 1.0
O A:HOH2738 3.3 20.9 1.0
N A:GLU899 3.3 9.7 1.0
CD A:PRO898 3.7 10.5 1.0
CB A:GLU899 3.7 10.2 1.0
N A:PRO898 3.8 9.9 1.0
CB A:TYR897 3.9 10.2 1.0
CA A:GLU899 4.1 10.1 1.0
CB A:PRO898 4.1 10.9 1.0
C A:PRO898 4.3 9.8 1.0
CA A:PRO898 4.3 10.1 1.0
CG A:PRO898 4.3 12.1 1.0
C A:TYR897 4.4 9.8 1.0
CA A:TYR897 4.6 9.7 1.0
CG A:TYR897 4.6 9.9 1.0
OE1 A:GLU899 4.8 14.2 1.0
O A:HOH3292 4.8 28.2 1.0
O A:HOH2762 4.9 20.5 1.0
CD1 A:TYR897 4.9 11.3 1.0
O A:HOH2750 5.0 34.9 1.0

Chlorine binding site 2 out of 2 in 4usa

Go back to Chlorine Binding Sites List in 4usa
Chlorine binding site 2 out of 2 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl920

b:13.4
occ:1.00
O A:HOH2806 3.1 22.5 1.0
O A:HOH2392 3.2 17.9 1.0
O A:HOH2808 3.2 27.2 1.0
N A:TYR892 3.2 7.9 1.0
N A:ARG893 3.3 8.1 1.0
CB A:ARG893 3.9 8.8 1.0
CA A:TYR892 3.9 8.1 1.0
CG A:ARG893 3.9 9.1 1.0
CB A:TYR892 4.0 8.9 1.0
CA A:ILE891 4.1 8.7 1.0
C A:ILE891 4.1 8.2 1.0
C A:TYR892 4.1 7.9 1.0
CG2 A:ILE891 4.1 10.7 1.0
CA A:ARG893 4.1 8.1 1.0
CD A:LYS900 4.3 11.7 1.0
O A:ARG893 4.3 9.0 1.0
CD2 A:TYR892 4.4 10.2 1.0
O A:HOH3366 4.4 20.1 1.0
CD A:ARG893 4.5 9.9 1.0
CD1 A:ILE891 4.6 13.7 1.0
CB A:ILE891 4.7 9.1 1.0
C A:ARG893 4.7 7.6 1.0
CG A:TYR892 4.7 9.1 1.0
CG A:LYS900 4.8 11.4 1.0
O A:ARG890 4.8 10.9 1.0
O A:HOH2820 4.8 37.0 1.0
O A:HOH2805 4.8 50.2 1.0
O A:HOH3371 4.8 42.7 1.0

Reference:

H.D.Correia, J.Marangon, C.D.Brondino, J.J.G.Moura, M.J.Romao, P.J.Gonzalez, T.Santos-Silva. Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase From Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme- Product Interaction. J.Biol.Inorg.Chem. 2014.
ISSN: ESSN 1432-1327
PubMed: 25261288
DOI: 10.1007/S00775-014-1196-4
Page generated: Sat Dec 12 11:16:10 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy