Chlorine in PDB 5mef: Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F

All present enzymatic activity of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F:
1.13.11.33;

The structure of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F, PDB code: 5mef was solved by J.Newie, P.Neumann, M.Werner, R.A.Mata, R.Ficner, I.Feussner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.20 / 2.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.400, 166.260, 166.740, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 21.6

The structure of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F (pdb code 5mef). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F, PDB code: 5mef:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1006 b:71.7 occ:0.70 NZ A:LYS141 3.2 81.8 1.0 OG1 A:THR230 3.6 46.3 1.0 CD A:LYS141 4.0 77.9 1.0 CE A:LYS141 4.1 81.4 1.0 CG2 A:THR230 4.2 44.8 1.0 CD1 A:ILE142 4.2 64.0 1.0 CB A:THR230 4.5 46.6 1.0 CG A:LYS141 4.5 73.5 1.0 CB A:ARG232 4.7 59.0 1.0 CD A:ARG232 4.8 64.1 1.0 CB A:LYS141 4.9 68.3 1.0 CG A:ARG232 4.9 60.5 1.0

Chlorine binding site 2 out of 3 in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1007 b:65.2 occ:0.62 OD1 A:ASP233 3.7 59.0 1.0 CD A:LYS477 3.8 84.8 1.0 O A:ILE228 4.0 49.2 1.0 OD2 A:ASP233 4.2 59.2 1.0 CG A:ASP233 4.2 58.4 1.0 CB A:LYS477 4.2 82.5 1.0 O A:HOH1239 4.3 62.6 1.0 CB A:PRO227 4.5 47.3 1.0 CD1 A:TYR229 4.5 47.8 1.0 CE1 A:TYR229 4.5 49.2 1.0 CG A:LYS477 4.6 84.2 1.0 CG A:PRO227 4.8 47.0 1.0 NZ A:LYS477 4.8 86.7 1.0 CE A:LYS477 4.9 86.2 1.0 C A:ILE228 4.9 47.8 1.0

Chlorine binding site 3 out of 3 in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1007 b:61.0 occ:0.70 OG1 B:THR230 3.7 49.4 1.0 CD B:LYS141 3.8 72.0 1.0 CG2 B:THR230 4.4 47.1 1.0 CG B:LYS141 4.5 67.6 1.0 CB B:THR230 4.6 49.6 1.0 CB B:ARG232 4.9 60.6 1.0 CE B:LYS141 4.9 75.8 1.0 NZ B:LYS141 4.9 78.5 1.0 CD B:ARG232 5.0 66.6 1.0

J.Newie, P.Neumann, M.Werner, R.A.Mata, R.Ficner, I.Feussner. Lipoxygenase 2 From Cyanothece Sp. Controls Dioxygen Insertion By Steric Shielding and Substrate Fixation. Sci Rep V. 7 2069 2017.
ISSN: ESSN 2045-2322
PubMed: 28522865
DOI: 10.1038/S41598-017-02153-W