Iron in PDB 6ns3: Crystal Structure of Fungal Lipoxygenase From Fusarium Graminearum. I222 Crystal Form.

The structure of Crystal Structure of Fungal Lipoxygenase From Fusarium Graminearum. I222 Crystal Form., PDB code: 6ns3 was solved by S.Pakhomova, W.E.Boeglin, D.B.Neau, S.G.Bartlett, A.R.Brash, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.81 / 2.84
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.931, 95.537, 186.249, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 27.2

The binding sites of Iron atom in the Crystal Structure of Fungal Lipoxygenase From Fusarium Graminearum. I222 Crystal Form. (pdb code 6ns3). 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 Crystal Structure of Fungal Lipoxygenase From Fusarium Graminearum. I222 Crystal Form., PDB code: 6ns3:

Iron binding site 1 out of 1 in the Crystal Structure of Fungal Lipoxygenase From Fusarium Graminearum. I222 Crystal Form.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Fungal Lipoxygenase From Fusarium Graminearum. I222 Crystal Form. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:65.6 occ:1.00 NE2 A:HIS412 2.1 61.2 1.0 NE2 A:HIS596 2.1 64.5 1.0 NE2 A:HIS407 2.1 63.1 1.0 O A:HOH901 2.2 43.4 1.0 OD1 A:ASN600 2.2 69.7 1.0 O A:ILE745 2.2 67.5 1.0 CE1 A:HIS407 2.9 63.0 1.0 CE1 A:HIS412 2.9 62.1 1.0 CD2 A:HIS596 3.0 62.0 1.0 CE1 A:HIS596 3.2 66.0 1.0 CD2 A:HIS407 3.2 61.3 1.0 CD2 A:HIS412 3.2 58.5 1.0 C A:ILE745 3.2 69.6 1.0 CG A:ASN600 3.3 70.2 1.0 OXT A:ILE745 3.4 68.4 1.0 CB A:ASN600 3.8 68.5 1.0 ND1 A:HIS407 4.0 61.2 1.0 ND1 A:HIS412 4.1 60.4 1.0 CG A:HIS407 4.2 59.5 1.0 CG A:HIS596 4.2 62.4 1.0 ND1 A:HIS596 4.2 64.9 1.0 CG A:HIS412 4.3 58.1 1.0 ND2 A:ASN600 4.5 72.8 1.0 CA A:ILE745 4.7 73.4 1.0 CG2 A:ILE743 4.7 65.4 1.0 CA A:ASN600 4.8 67.9 1.0 CG2 A:ILE745 4.9 74.2 1.0 OG1 A:THR411 5.0 53.3 1.0

S.Pakhomova, W.E.Boeglin, D.B.Neau, S.G.Bartlett, A.R.Brash, M.E.Newcomer. An Ensemble of Lipoxygenase Structures Reveals Novel Conformations of the Fe Coordination Sphere. Protein Sci. V. 28 920 2019.
ISSN: ESSN 1469-896X
PubMed: 30861228
DOI: 10.1002/PRO.3602