Iron in PDB 4hhs: Crystal Structure of Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana)

The structure of Crystal Structure of Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana), PDB code: 4hhs was solved by C.C.Goulah, G.Zhu, M.Koszelak-Rosenblum, M.G.Malkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.70
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.150, 102.150, 137.565, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.7

The structure of Crystal Structure of Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana) also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Calcium	(Ca)	5 atoms

The binding sites of Iron atom in the Crystal Structure of Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana) (pdb code 4hhs). 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 Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana), PDB code: 4hhs:

Iron binding site 1 out of 1 in the Crystal Structure of Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana)


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 Fatty Acid Alpha-Dioxygenase (Arabidopsis Thaliana) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:13.2 occ:1.00 FE A:HEM701 0.0 13.2 1.0 ND A:HEM701 2.0 11.8 1.0 NC A:HEM701 2.0 12.9 1.0 NB A:HEM701 2.1 12.4 1.0 NA A:HEM701 2.1 13.4 1.0 NE2 A:HIS389 2.1 10.9 1.0 O A:HOH865 2.2 24.9 1.0 CE1 A:HIS389 3.0 10.3 1.0 C4D A:HEM701 3.0 11.7 1.0 C1C A:HEM701 3.1 12.3 1.0 C1D A:HEM701 3.1 11.6 1.0 C4B A:HEM701 3.1 13.0 1.0 C4C A:HEM701 3.1 11.9 1.0 CD2 A:HIS389 3.1 11.7 1.0 C1A A:HEM701 3.1 13.2 1.0 C1B A:HEM701 3.1 12.3 1.0 C4A A:HEM701 3.1 12.8 1.0 CHC A:HEM701 3.4 13.1 1.0 CHD A:HEM701 3.4 11.7 1.0 CHA A:HEM701 3.4 12.9 1.0 CHB A:HEM701 3.5 11.4 1.0 O A:HOH1277 4.0 27.9 1.0 ND1 A:HIS389 4.1 10.9 1.0 CG A:HIS389 4.2 9.7 1.0 O A:HOH1164 4.2 27.7 1.0 C3D A:HEM701 4.3 11.3 1.0 C2C A:HEM701 4.3 12.2 1.0 C3C A:HEM701 4.3 12.6 1.0 C2D A:HEM701 4.3 11.8 1.0 C3B A:HEM701 4.3 14.9 1.0 C2A A:HEM701 4.3 13.8 1.0 C2B A:HEM701 4.3 13.4 1.0 C3A A:HEM701 4.3 14.3 1.0 CD2 A:LEU479 4.6 10.5 1.0 O A:HOH1133 4.8 28.2 1.0

C.C.Goulah, G.Zhu, M.Koszelak-Rosenblum, M.G.Malkowski. The Crystal Structure of Alpha-Dioxygenase Provides Insight Into Diversity in the Cyclooxygenase-Peroxidase Superfamily. Biochemistry V. 52 1364 2013.
ISSN: ISSN 0006-2960
PubMed: 23373518
DOI: 10.1021/BI400013K