Chlorine in PDB 4gxm: OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation

All present enzymatic activity of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation:
1.6.99.1;

The structure of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation, PDB code: 4gxm was solved by Y.A.Pompeu, J.D.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.23 / 1.36
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	141.120, 141.120, 42.920, 90.00, 90.00, 90.00
R / Rfree (%)	10.8 / 13.7

The structure of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation (pdb code 4gxm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation, PDB code: 4gxm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:23.3 occ:1.00 ND2 A:ASN126 3.2 13.2 1.0 N A:ASP83 3.2 8.8 1.0 O A:HOH588 3.3 12.8 1.0 CD2 A:PHE123 3.8 17.6 1.0 CB A:ASP83 3.9 11.6 1.0 CA A:TYR82 3.9 7.9 1.0 O A:HOH833 3.9 34.6 1.0 CE2 A:PHE123 4.0 21.2 1.0 C A:TYR82 4.0 8.2 1.0 CG A:ASP83 4.1 13.1 1.0 CA A:ASP83 4.1 9.4 1.0 OD2 A:ASP83 4.2 16.9 1.0 CG A:ASN126 4.4 13.8 1.0 O A:GLY81 4.5 9.2 1.0 O A:HOH1009 4.6 26.8 1.0 CB A:TYR82 4.6 8.6 1.0 OD1 A:ASN126 4.7 16.5 1.0 N A:ASN84 4.8 8.2 1.0 OD1 A:ASP83 4.8 14.3 1.0 OD1 A:ASN84 4.9 11.8 1.0 N A:TYR82 5.0 7.8 1.0

Chlorine binding site 2 out of 2 in the OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of OYE1-W116L in Complex with Aromatic Product of R-Carvone Dismutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:34.7 occ:0.96 N A:LYS4 3.2 23.6 1.0 O A:HOH839 3.2 33.5 1.0 O A:HOH1106 3.3 36.3 1.0 CA A:VAL3 3.7 13.9 1.0 CG A:LYS4 3.7 44.0 1.0 CB A:LYS4 3.9 36.5 1.0 CD A:LYS368 4.0 20.9 1.0 C A:VAL3 4.0 18.6 1.0 CA A:LYS4 4.1 30.5 1.0 CG1 A:VAL3 4.2 15.0 1.0 O A:PHE2 4.3 14.6 1.0 CG A:LYS368 4.3 18.2 1.0 CE A:LYS368 4.4 24.2 1.0 CB A:VAL3 4.5 14.2 1.0 CB A:LYS368 4.7 13.6 1.0 N A:VAL3 4.7 12.7 1.0 C A:PHE2 4.9 12.7 1.0 CD A:LYS4 4.9 50.2 1.0 CG2 A:VAL3 4.9 14.1 1.0

Y.A.Pompeu, B.Sullivan, J.D.Stewart. X‑Ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in An Alkene Reductase Acs Catalysis V. 3 2376 2013.
ISSN: ESSN 2155-5435
DOI: 10.1021/CS400622E