Iron in PDB 8viy: 15-Lipoxygenase-2 V427L

All present enzymatic activity of 15-Lipoxygenase-2 V427L:
1.13.11.33;

The structure of 15-Lipoxygenase-2 V427L, PDB code: 8viy was solved by N.C.Gilbert, A.R.Offenbacher, A.R.L.Ohler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.20 / 2.34
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	155.406, 155.406, 263.405, 90, 90, 120
R / Rfree (%)	18.4 / 22.4

The structure of 15-Lipoxygenase-2 V427L also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the 15-Lipoxygenase-2 V427L (pdb code 8viy). 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 15-Lipoxygenase-2 V427L, PDB code: 8viy:

Iron binding site 1 out of 1 in the 15-Lipoxygenase-2 V427L


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of 15-Lipoxygenase-2 V427L within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:51.0 occ:1.00 O A:HOH843 2.1 46.2 1.0 NE2 A:HIS378 2.3 54.5 1.0 O A:HOH816 2.3 45.8 1.0 OXT A:ILE676 2.3 53.2 1.0 NE2 A:HIS373 2.3 52.1 1.0 NE2 A:HIS553 2.3 50.1 1.0 CE1 A:HIS373 3.1 50.3 1.0 HE1 A:HIS373 3.2 60.5 1.0 CE1 A:HIS378 3.2 51.8 1.0 C A:ILE676 3.2 59.4 1.0 CD2 A:HIS553 3.2 55.6 1.0 CD2 A:HIS378 3.3 51.5 1.0 O A:ILE676 3.3 57.5 1.0 HD2 A:HIS553 3.3 66.8 1.0 HE1 A:HIS378 3.3 62.2 1.0 CE1 A:HIS553 3.4 61.5 1.0 CD2 A:HIS373 3.4 50.1 1.0 HD2 A:HIS378 3.4 61.9 1.0 HE1 A:HIS553 3.6 73.8 1.0 HB2 A:SER557 3.6 66.2 1.0 HD2 A:HIS373 3.6 60.2 1.0 H132 A:C8E702 3.8 60.8 1.0 H131 A:C8E702 3.8 60.8 1.0 HG A:SER557 3.9 81.4 1.0 HG13 A:VAL674 3.9 63.3 1.0 HG23 A:ILE676 4.1 69.3 1.0 C13 A:C8E702 4.3 50.6 1.0 OG A:SER557 4.3 67.8 1.0 ND1 A:HIS373 4.3 47.9 1.0 ND1 A:HIS378 4.3 52.2 1.0 CB A:SER557 4.4 55.1 1.0 CG A:HIS378 4.4 49.0 1.0 HB3 A:LEU610 4.4 62.5 1.0 CG A:HIS553 4.4 51.6 1.0 ND1 A:HIS553 4.4 59.7 1.0 H A:ILE676 4.5 68.7 1.0 H111 A:C8E702 4.5 71.3 1.0 CG A:HIS373 4.5 49.8 1.0 HG11 A:VAL674 4.6 63.3 1.0 CG1 A:VAL674 4.6 52.7 1.0 CA A:ILE676 4.6 59.2 1.0 HG22 A:ILE676 4.6 69.3 1.0 CG2 A:ILE676 4.8 57.6 1.0 HG12 A:VAL674 4.8 63.3 1.0 O A:LEU610 4.8 57.3 1.0 HB3 A:SER557 4.8 66.2 1.0 N A:ILE676 5.0 57.2 1.0

A.Ohler, P.E.Taylor, J.A.Bledsoe, A.T.Iavarone, N.C.Gilbert, A.R.Offenbacher. Identification of the Thermal Activation Network in Human 15-Lipoxygenase-2: Divergence From Plant Orthologs and Its Relationship to Hydrogen Tunneling Activation Barriers. Acs Catalysis V. 14 5444 2024.
ISSN: ESSN 2155-5435
PubMed: 38601784
DOI: 10.1021/ACSCATAL.4C00439