Manganese 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:

Chlorine

(Cl)

1 atom

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

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1001 b:22.7 occ:1.00 NE2 A:HIS449 2.2 21.8 1.0 OD1 A:ASN453 2.2 27.6 1.0 NE2 A:HIS262 2.2 22.6 1.0 NE2 A:HIS257 2.2 25.6 1.0 O A:ILE569 2.2 30.2 1.0 O A:HOH1186 2.3 25.6 1.0 CE1 A:HIS257 3.1 24.3 1.0 CE1 A:HIS262 3.1 22.7 1.0 CD2 A:HIS449 3.1 25.6 1.0 CE1 A:HIS449 3.2 25.2 1.0 CG A:ASN453 3.3 27.2 1.0 CD2 A:HIS262 3.3 22.9 1.0 C A:ILE569 3.3 29.4 1.0 CD2 A:HIS257 3.3 25.3 1.0 OXT A:ILE569 3.6 26.4 1.0 CB A:ASN453 4.0 27.0 1.0 O A:HOH1497 4.2 37.6 1.0 ND1 A:HIS262 4.3 22.6 1.0 ND1 A:HIS257 4.3 25.2 1.0 CG A:HIS449 4.3 24.2 1.0 ND2 A:ASN453 4.3 24.8 1.0 ND1 A:HIS449 4.3 24.2 1.0 CG A:HIS262 4.4 22.6 1.0 CG A:HIS257 4.4 26.8 1.0 CA A:ILE569 4.6 27.1 1.0 N A:ILE569 4.8 27.2 1.0 CG2 A:ILE569 4.9 23.4 1.0 CG2 A:THR567 4.9 22.0 1.0

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Manganese-Substituted Cyanothece Lipoxygenase 2 (Mn-CSPLOX2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1001 b:26.6 occ:1.00 O B:HOH1184 2.1 28.0 1.0 NE2 B:HIS262 2.2 26.5 1.0 NE2 B:HIS449 2.2 29.3 1.0 OD1 B:ASN453 2.2 30.1 1.0 NE2 B:HIS257 2.2 20.9 1.0 O B:ILE569 2.3 22.9 1.0 CE1 B:HIS257 3.0 21.7 1.0 CE1 B:HIS262 3.1 25.6 1.0 CD2 B:HIS449 3.1 27.3 1.0 CE1 B:HIS449 3.2 27.9 1.0 CD2 B:HIS262 3.2 24.4 1.0 C B:ILE569 3.3 27.3 1.0 CG B:ASN453 3.3 26.8 1.0 CD2 B:HIS257 3.4 21.3 1.0 OXT B:ILE569 3.6 26.1 1.0 CB B:ASN453 4.0 23.6 1.0 ND1 B:HIS262 4.2 22.6 1.0 ND1 B:HIS257 4.2 24.3 1.0 ND1 B:HIS449 4.3 28.6 1.0 CG B:HIS449 4.3 26.8 1.0 ND2 B:ASN453 4.3 25.4 1.0 CG B:HIS262 4.3 25.9 1.0 O B:HOH1542 4.4 43.4 1.0 CG B:HIS257 4.4 23.4 1.0 CA B:ILE569 4.6 24.2 1.0 N B:ILE569 4.8 27.2 1.0 CG2 B:ILE569 4.9 22.4 1.0 CG2 B:THR567 5.0 26.7 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