Iron in PDB 5med: Cyanothece Lipoxygenase 2 (CSPLOX2)

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

The structure of Cyanothece Lipoxygenase 2 (CSPLOX2), PDB code: 5med 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)	41.55 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.500, 165.400, 166.210, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.3

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

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


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1001 b:20.8 occ:0.96 O A:HOH1165 2.1 22.3 1.0 NE2 A:HIS449 2.2 18.4 1.0 NE2 A:HIS262 2.2 20.9 1.0 NE2 A:HIS257 2.3 22.5 1.0 O A:ILE569 2.3 20.7 1.0 OD1 A:ASN453 2.5 26.0 1.0 CE1 A:HIS257 3.1 22.8 1.0 CE1 A:HIS262 3.1 22.1 1.0 CE1 A:HIS449 3.1 17.3 1.0 CD2 A:HIS449 3.2 19.2 1.0 CD2 A:HIS262 3.2 20.9 1.0 C A:ILE569 3.3 24.6 1.0 CD2 A:HIS257 3.3 18.1 1.0 CG A:ASN453 3.5 22.1 1.0 OXT A:ILE569 3.5 20.1 1.0 CB A:ASN453 4.0 15.3 1.0 O1 A:HEZ1006 4.0 42.4 0.5 O1 A:HEZ1006 4.2 41.7 0.5 ND1 A:HIS449 4.3 19.5 1.0 ND1 A:HIS262 4.3 20.7 1.0 ND1 A:HIS257 4.3 18.9 1.0 CG A:HIS449 4.3 19.0 1.0 CG A:HIS262 4.4 20.8 1.0 C1 A:HEZ1006 4.4 41.8 0.5 CG A:HIS257 4.4 16.5 1.0 ND2 A:ASN453 4.5 19.6 1.0 CA A:ILE569 4.6 16.8 1.0 N A:ILE569 4.8 17.0 1.0 C1 A:HEZ1006 4.8 42.0 0.5 CG2 A:THR567 4.9 17.5 1.0 CG2 A:ILE569 5.0 18.3 1.0

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


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) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1001 b:19.7 occ:0.93 O B:HOH1167 2.1 20.9 1.0 NE2 B:HIS262 2.2 20.6 1.0 NE2 B:HIS449 2.2 17.4 1.0 NE2 B:HIS257 2.2 21.7 1.0 O B:ILE569 2.3 19.1 1.0 OD1 B:ASN453 2.6 27.9 1.0 CE1 B:HIS262 3.0 20.4 1.0 CE1 B:HIS257 3.1 24.1 1.0 CE1 B:HIS449 3.2 20.0 1.0 CD2 B:HIS449 3.2 19.6 1.0 CD2 B:HIS262 3.3 20.3 1.0 CD2 B:HIS257 3.3 19.0 1.0 C B:ILE569 3.3 21.7 1.0 OXT B:ILE569 3.5 21.6 1.0 CG B:ASN453 3.5 21.8 1.0 CB B:ASN453 4.0 16.5 1.0 O B:POL1010 4.1 44.4 1.0 ND1 B:HIS262 4.2 21.4 1.0 ND1 B:HIS257 4.3 21.8 1.0 ND1 B:HIS449 4.3 17.3 1.0 CG B:HIS262 4.3 22.5 1.0 CG B:HIS449 4.4 18.3 1.0 CG B:HIS257 4.4 19.9 1.0 C1 B:POL1010 4.4 47.6 1.0 ND2 B:ASN453 4.6 23.9 1.0 CA B:ILE569 4.7 17.7 1.0 N B:ILE569 4.9 19.8 1.0 CG2 B:ILE569 4.9 20.0 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