Iron 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:

Chlorine

(Cl)

3 atoms

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

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:62.5 occ:0.94 O A:HOH1225 2.1 61.5 0.8 NE2 A:HIS449 2.3 40.1 1.0 NE2 A:HIS262 2.3 49.0 1.0 O A:ILE569 2.4 48.6 1.0 NE2 A:HIS257 2.4 49.1 1.0 OD1 A:ASN453 2.4 44.5 1.0 CE1 A:HIS262 3.0 48.5 1.0 CE1 A:HIS449 3.2 40.5 1.0 CE1 A:HIS257 3.2 48.7 1.0 CD2 A:HIS449 3.3 39.4 1.0 CG A:ASN453 3.3 42.1 1.0 C A:ILE569 3.4 48.3 1.0 CD2 A:HIS257 3.5 48.3 1.0 CD2 A:HIS262 3.5 48.3 1.0 OXT A:ILE569 3.7 48.6 1.0 CB A:ASN453 3.8 41.2 1.0 ND1 A:HIS262 4.2 48.7 1.0 ND1 A:HIS449 4.3 40.4 1.0 ND1 A:HIS257 4.4 48.1 1.0 ND2 A:ASN453 4.4 41.3 1.0 CG A:HIS449 4.4 40.7 1.0 CG A:HIS262 4.5 48.4 1.0 CG A:HIS257 4.6 47.5 1.0 CA A:ILE569 4.7 46.8 1.0 CG2 A:ILE569 4.9 46.2 1.0 N A:ILE569 4.9 46.0 1.0 CA A:ASN453 4.9 42.0 1.0 CD2 A:LEU506 5.0 43.4 1.0

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304F within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:65.4 occ:0.95 O B:HOH1174 2.1 68.2 0.8 OD1 B:ASN453 2.3 42.7 1.0 NE2 B:HIS257 2.3 45.4 1.0 O B:ILE569 2.3 49.4 1.0 NE2 B:HIS262 2.4 53.1 1.0 NE2 B:HIS449 2.4 41.3 1.0 CE1 B:HIS262 3.1 53.5 1.0 CE1 B:HIS257 3.2 44.3 1.0 CD2 B:HIS449 3.2 39.6 1.0 CG B:ASN453 3.3 39.5 1.0 C B:ILE569 3.4 48.6 1.0 CD2 B:HIS257 3.4 44.8 1.0 CE1 B:HIS449 3.5 41.8 1.0 CD2 B:HIS262 3.6 52.8 1.0 OXT B:ILE569 3.7 48.2 1.0 CB B:ASN453 3.9 39.1 1.0 ND1 B:HIS262 4.3 53.6 1.0 ND1 B:HIS257 4.4 44.7 1.0 ND2 B:ASN453 4.4 37.6 1.0 CG B:HIS449 4.4 41.9 1.0 CG B:HIS257 4.5 44.7 1.0 ND1 B:HIS449 4.5 41.5 1.0 CG B:HIS262 4.6 52.4 1.0 CA B:ILE569 4.7 47.4 1.0 CG2 B:ILE569 4.9 46.3 1.0 N B:ILE569 4.9 46.6 1.0 CA B:ASN453 5.0 40.0 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