Chlorine in PDB 5meg: Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2)

All present enzymatic activity of Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2):
1.13.11.33;

The structure of Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2), PDB code: 5meg 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)	46.26 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.420, 165.590, 167.350, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.5

The structure of Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2) also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2) (pdb code 5meg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2), PDB code: 5meg:

Chlorine binding site 1 out of 1 in the Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:79.5 occ:1.00 O A:HOH1109 2.4 63.1 1.0 O A:HOH1241 2.7 46.2 1.0 O A:HOH1417 3.7 31.8 1.0 NE A:ARG418 4.0 66.4 1.0 CB A:LEU38 4.0 30.1 1.0 CD1 A:LEU38 4.0 39.9 1.0 CD A:ARG418 4.0 60.4 1.0 CG A:ARG418 4.1 55.6 1.0 O A:GLY417 4.2 35.8 1.0 C A:GLY417 4.2 35.4 1.0 CA A:GLY417 4.3 36.1 1.0 O A:PRO414 4.3 47.4 1.0 O A:HOH1320 4.4 36.1 1.0 O A:HOH1546 4.4 34.6 1.0 N A:GLY417 4.6 36.1 1.0 O A:GLY36 4.6 36.2 1.0 CG A:LEU38 4.7 37.0 1.0 N A:LEU38 4.7 31.1 1.0 CB A:ARG418 4.7 46.9 1.0 N A:ARG418 4.8 35.9 1.0 CA A:LEU38 4.9 29.8 1.0 O A:HOH1244 5.0 51.7 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