Iron in PDB 1n8q: Lipoxygenase in Complex with Protocatechuic Acid

All present enzymatic activity of Lipoxygenase in Complex with Protocatechuic Acid:
1.13.11.12;

The structure of Lipoxygenase in Complex with Protocatechuic Acid, PDB code: 1n8q was solved by O.Y.Borbulevych, J.Jankun, S.H.Selman, E.Skrzypczak-Jankun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.645, 136.961, 61.799, 90.00, 95.48, 90.00
R / Rfree (%)	18.9 / 24.5

The binding sites of Iron atom in the Lipoxygenase in Complex with Protocatechuic Acid (pdb code 1n8q). 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 Lipoxygenase in Complex with Protocatechuic Acid, PDB code: 1n8q:

Iron binding site 1 out of 1 in the Lipoxygenase in Complex with Protocatechuic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Lipoxygenase in Complex with Protocatechuic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe858 b:45.3 occ:1.00 NE2 A:HIS523 2.1 28.8 1.0 OXT A:ILE857 2.1 37.1 1.0 NE2 A:HIS709 2.1 21.8 1.0 NE2 A:HIS518 2.2 41.4 1.0 CE1 A:HIS523 2.9 24.4 1.0 CE1 A:HIS518 3.0 38.7 1.0 CE1 A:HIS709 3.0 20.8 1.0 C A:ILE857 3.1 34.3 1.0 CD2 A:HIS709 3.2 18.3 1.0 CD2 A:HIS523 3.2 25.4 1.0 CD2 A:HIS518 3.3 38.8 1.0 O A:ILE857 3.3 34.3 1.0 O4 A:DHB859 3.5 61.2 0.5 OD1 A:ASN713 3.6 22.0 1.0 CG A:ASN713 4.0 19.0 1.0 ND1 A:HIS523 4.1 25.2 1.0 C4 A:DHB859 4.1 60.7 0.5 ND1 A:HIS518 4.2 36.5 1.0 ND1 A:HIS709 4.2 19.9 1.0 CG A:HIS523 4.3 24.0 1.0 CG A:HIS709 4.3 19.8 1.0 CG A:HIS518 4.3 35.3 1.0 O3 A:DHB859 4.4 59.9 0.5 CG2 A:ILE855 4.4 22.1 1.0 CB A:ASN713 4.5 17.8 1.0 C3 A:DHB859 4.5 60.6 0.5 CA A:ILE857 4.6 32.3 1.0 ND2 A:ASN713 4.6 21.4 1.0 N A:ILE857 4.9 29.8 1.0 C5 A:DHB859 4.9 60.8 0.5

O.Y.Borbulevych, J.Jankun, S.H.Selman, E.Skrzypczak-Jankun. Lipoxygenase Interactions with Natural Flavonoid, Quercetin, Reveal A Complex with Protocatechuic Acid in Its X-Ray Structure at 2.1 A Resolution. Proteins: V. 54 13 2004STRUCT.,Funct.,Genet..
ISSN: ISSN 0887-3585
PubMed: 14705020
DOI: 10.1002/PROT.10579