Iron in PDB 5mee: Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304V

All present enzymatic activity of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304V:
1.13.11.33;

The structure of Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304V, PDB code: 5mee 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)	46.35 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.710, 167.100, 167.160, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22

The binding sites of Iron atom in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304V (pdb code 5mee). 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 - L304V, PDB code: 5mee:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304V


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 - L304V within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:50.4 occ:0.73 O A:HOH1137 2.1 72.6 1.0 NE2 A:HIS449 2.1 61.0 1.0 NE2 A:HIS262 2.2 57.8 1.0 OD1 A:ASN453 2.2 52.1 1.0 O A:ILE569 2.3 55.8 1.0 NE2 A:HIS257 2.3 57.1 1.0 CE1 A:HIS262 3.0 59.1 1.0 CD2 A:HIS449 3.1 60.1 1.0 CE1 A:HIS257 3.1 57.4 1.0 CE1 A:HIS449 3.1 61.2 1.0 CG A:ASN453 3.3 47.6 1.0 C A:ILE569 3.3 55.0 1.0 CD2 A:HIS257 3.4 56.5 1.0 CD2 A:HIS262 3.4 58.0 1.0 OXT A:ILE569 3.6 54.5 1.0 CB A:ASN453 4.0 48.1 1.0 O A:HOH1157 4.1 82.0 1.0 ND1 A:HIS262 4.2 57.7 1.0 ND1 A:HIS449 4.2 58.7 1.0 CG A:HIS449 4.2 59.7 1.0 ND1 A:HIS257 4.3 54.2 1.0 ND2 A:ASN453 4.4 42.1 1.0 CG A:HIS262 4.4 57.8 1.0 CG A:HIS257 4.5 55.0 1.0 CA A:ILE569 4.7 53.0 1.0 N A:ILE569 4.8 53.9 1.0 CG2 A:ILE569 4.9 50.3 1.0 CG2 A:THR567 5.0 38.1 1.0 CA A:ASN453 5.0 48.7 1.0

Iron binding site 2 out of 2 in the Cyanothece Lipoxygenase 2 (CSPLOX2) Variant - L304V


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 - L304V within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:53.1 occ:0.77 NE2 B:HIS449 2.1 56.8 1.0 NE2 B:HIS262 2.2 56.7 1.0 O B:ILE569 2.2 61.7 1.0 OD1 B:ASN453 2.3 58.4 1.0 NE2 B:HIS257 2.3 54.4 1.0 CE1 B:HIS262 2.9 57.6 1.0 CD2 B:HIS449 3.1 54.1 1.0 CE1 B:HIS257 3.1 55.2 1.0 CE1 B:HIS449 3.1 53.9 1.0 C B:ILE569 3.3 59.0 1.0 CG B:ASN453 3.3 54.9 1.0 CD2 B:HIS262 3.4 57.2 1.0 CD2 B:HIS257 3.4 54.5 1.0 OXT B:ILE569 3.6 62.0 1.0 CB B:ASN453 4.0 51.7 1.0 ND1 B:HIS262 4.2 57.5 1.0 ND1 B:HIS449 4.2 53.5 1.0 CG B:HIS449 4.2 54.0 1.0 O B:HOH1151 4.3 77.3 1.0 ND1 B:HIS257 4.3 52.2 1.0 ND2 B:ASN453 4.4 57.2 1.0 CG B:HIS262 4.4 56.6 1.0 CG B:HIS257 4.5 53.4 1.0 CA B:ILE569 4.6 55.6 1.0 N B:ILE569 4.8 58.5 1.0 CG2 B:ILE569 4.9 54.0 1.0 CG2 B:THR567 5.0 41.2 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