Iron in PDB 6n2w: The Structure of Stable-5-Lipoxygenase Bound to Ndga

All present enzymatic activity of The Structure of Stable-5-Lipoxygenase Bound to Ndga:
1.13.11.34;

The structure of The Structure of Stable-5-Lipoxygenase Bound to Ndga, PDB code: 6n2w was solved by M.E.Newcomer, N.C.Gilbert, D.B.Neau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.57 / 2.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.152, 204.358, 76.712, 90.00, 99.91, 90.00
R / Rfree (%)	21.3 / 26.3

The binding sites of Iron atom in the The Structure of Stable-5-Lipoxygenase Bound to Ndga (pdb code 6n2w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the The Structure of Stable-5-Lipoxygenase Bound to Ndga, PDB code: 6n2w:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Structure of Stable-5-Lipoxygenase Bound to Ndga


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 Stable-5-Lipoxygenase Bound to Ndga within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:45.5 occ:1.00 OD1 A:ASN554 2.2 49.2 1.0 NE2 A:HIS550 2.3 30.0 1.0 NE2 A:HIS372 2.4 40.6 1.0 O A:ILE673 2.4 70.0 0.8 NE2 A:HIS367 2.5 36.6 1.0 OXT A:ILE673 3.0 57.0 0.8 C A:ILE673 3.1 66.4 0.8 O A:HOH812 3.1 30.0 1.0 CE1 A:HIS372 3.1 50.3 1.0 CG A:ASN554 3.2 47.8 1.0 CE1 A:HIS550 3.2 40.5 1.0 CE1 A:HIS367 3.3 43.4 1.0 CD2 A:HIS550 3.3 38.9 1.0 CD2 A:HIS372 3.5 46.6 1.0 CD2 A:HIS367 3.7 37.8 1.0 CB A:ASN554 3.7 49.7 1.0 ND2 A:ASN554 4.2 43.1 1.0 ND1 A:HIS372 4.4 48.6 1.0 ND1 A:HIS550 4.4 39.1 1.0 CG A:HIS550 4.4 40.8 1.0 CA A:ILE673 4.4 60.4 0.8 ND1 A:HIS367 4.5 44.7 1.0 CG A:HIS372 4.6 42.3 1.0 CG A:HIS367 4.7 37.3 1.0 N A:ILE673 4.7 61.3 0.8 CG1 A:VAL671 4.8 38.1 1.0 CA A:ASN554 4.9 44.6 1.0 NE2 A:GLN557 5.0 48.6 1.0

Iron binding site 2 out of 2 in the The Structure of Stable-5-Lipoxygenase Bound to Ndga


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of Stable-5-Lipoxygenase Bound to Ndga within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:64.0 occ:1.00 NE2 B:HIS367 2.1 42.8 1.0 NE2 B:HIS372 2.2 36.0 1.0 NE2 B:HIS550 2.3 35.4 1.0 O B:ILE673 2.5 63.9 0.9 CE1 B:HIS367 2.9 46.7 1.0 CE1 B:HIS372 3.0 48.1 1.0 CD2 B:HIS550 3.2 42.2 1.0 CE1 B:HIS550 3.3 42.2 1.0 CD2 B:HIS372 3.3 44.5 1.0 CD2 B:HIS367 3.3 38.7 1.0 C B:ILE673 3.4 60.4 0.9 OXT B:ILE673 3.5 60.9 0.9 OD1 B:ASN554 3.7 47.3 1.0 CG B:ASN554 4.0 44.1 1.0 ND1 B:HIS367 4.1 37.6 1.0 CB B:ASN554 4.1 44.0 1.0 ND1 B:HIS372 4.2 45.4 1.0 CG B:HIS367 4.3 35.7 1.0 CG B:HIS372 4.3 42.0 1.0 ND1 B:HIS550 4.4 41.7 1.0 CG B:HIS550 4.4 41.0 1.0 CG1 B:VAL671 4.6 35.4 1.0 ND2 B:ASN554 4.7 42.3 1.0 H23 B:30Z702 4.7 83.1 0.9 CA B:ILE673 4.8 61.5 0.9 N B:ILE673 5.0 63.4 0.9

E.E.Schexnaydre, N.C.Gilbert, D.B.Neau, J.Gertmeier, U.Garsha, O.Werz, M.E.Newcomer. Identification of A Binding Site For Allosteric Inhibition of 5-Lipoxygenase To Be Published.