Iron in PDB 4nre: The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic

All present enzymatic activity of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic:
1.13.11.33;

The structure of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic, PDB code: 4nre was solved by M.J.Kobe, D.B.Neau, C.E.Mitchell, S.G.Bartlett, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.95 / 2.63
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	155.794, 155.794, 263.219, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 20.3

The structure of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic (pdb code 4nre). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic, PDB code: 4nre:

Iron binding site 1 out of 1 in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:47.4 occ:1.00 HE2 A:HIS553 1.3 57.2 1.0 HE2 A:HIS378 1.4 52.2 1.0 HE2 A:HIS373 1.5 50.6 1.0 O A:HOH801 2.1 42.8 1.0 O A:HOH803 2.1 44.9 1.0 OXT A:ILE676 2.2 52.5 1.0 NE2 A:HIS553 2.2 47.7 1.0 NE2 A:HIS378 2.2 43.5 1.0 NE2 A:HIS373 2.3 42.2 1.0 C A:ILE676 3.1 53.7 1.0 CD2 A:HIS553 3.1 42.8 1.0 CD2 A:HIS378 3.1 39.3 1.0 CE1 A:HIS553 3.2 49.4 1.0 CE1 A:HIS378 3.2 37.6 1.0 CE1 A:HIS373 3.2 45.1 1.0 HD2 A:HIS553 3.3 51.4 1.0 HD2 A:HIS378 3.3 47.1 1.0 O A:ILE676 3.3 53.6 1.0 HE1 A:HIS373 3.3 54.1 1.0 CD2 A:HIS373 3.4 44.2 1.0 HE1 A:HIS553 3.4 59.2 1.0 HE1 A:HIS378 3.4 45.1 1.0 HD2 A:HIS373 3.6 53.0 1.0 HG A:SER557 3.7 68.6 1.0 H131 A:C8E702 3.7 57.5 1.0 HB2 A:SER557 3.9 63.8 1.0 HG13 A:VAL674 3.9 59.5 1.0 HG23 A:ILE676 4.0 58.2 1.0 OG A:SER557 4.1 57.1 1.0 CG A:HIS553 4.3 43.8 1.0 ND1 A:HIS553 4.3 49.0 1.0 ND1 A:HIS378 4.3 39.8 1.0 CG A:HIS378 4.3 39.7 1.0 H142 A:C8E702 4.3 61.3 1.0 H A:ILE676 4.4 63.4 1.0 ND1 A:HIS373 4.4 46.0 1.0 CG A:HIS373 4.5 44.4 1.0 CB A:SER557 4.5 53.2 1.0 HB3 A:LEU610 4.5 64.9 1.0 CA A:ILE676 4.5 51.7 1.0 H111 A:C8E702 4.5 61.9 1.0 CG1 A:VAL674 4.6 49.6 1.0 HG12 A:VAL674 4.6 59.5 1.0 C13 A:C8E702 4.6 47.9 1.0 HG11 A:VAL674 4.6 59.5 1.0 HE22 A:GLN560 4.8 57.4 1.0 CG2 A:ILE676 4.8 48.5 1.0 O A:LEU610 4.8 62.7 1.0 C14 A:C8E702 4.8 51.1 1.0 N A:ILE676 4.9 52.8 1.0 HG22 A:ILE676 4.9 58.2 1.0 O15 A:C8E702 5.0 54.3 1.0 HG13 A:ILE676 5.0 61.2 1.0

M.J.Kobe, D.B.Neau, C.E.Mitchell, S.G.Bartlett, M.E.Newcomer. The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic. J.Biol.Chem. V. 289 8562 2014.
ISSN: ISSN 0021-9258
PubMed: 24497644
DOI: 10.1074/JBC.M113.543777