Iron in PDB 4kvl: Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid

The structure of Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid, PDB code: 4kvl was solved by 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)	107.07 / 1.96
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.887, 130.202, 188.173, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 18.6

The structure of Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Iron atom in the Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid (pdb code 4kvl). 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 Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid, PDB code: 4kvl:

Iron binding site 1 out of 1 in the Crystal Structure of Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid


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 Oryza Sativa Fatty Acid Alpha-Dioxygenase Y379F with Palmitic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:25.5 occ:1.00 FE A:HEM701 0.0 25.5 1.0 NE2 A:HIS382 2.0 21.4 1.0 N1 A:IMD705 2.0 37.1 1.0 NA A:HEM701 2.1 24.7 1.0 NC A:HEM701 2.1 23.1 1.0 NB A:HEM701 2.1 25.1 1.0 ND A:HEM701 2.1 25.7 1.0 CE1 A:HIS382 2.9 26.6 1.0 CD2 A:HIS382 3.0 26.5 1.0 C5 A:IMD705 3.0 37.4 1.0 C4A A:HEM701 3.1 29.0 1.0 C2 A:IMD705 3.1 30.8 1.0 C1B A:HEM701 3.1 23.6 1.0 C4C A:HEM701 3.1 27.6 1.0 C4B A:HEM701 3.1 24.8 1.0 C1D A:HEM701 3.1 25.2 1.0 C4D A:HEM701 3.1 28.3 1.0 C1A A:HEM701 3.1 31.4 1.0 C1C A:HEM701 3.1 24.8 1.0 CHB A:HEM701 3.4 22.8 1.0 CHD A:HEM701 3.4 24.0 1.0 CHC A:HEM701 3.5 26.6 1.0 CHA A:HEM701 3.5 26.0 1.0 ND1 A:HIS382 4.1 26.9 1.0 CG A:HIS382 4.1 22.4 1.0 N3 A:IMD705 4.2 37.0 1.0 C4 A:IMD705 4.2 40.2 1.0 C3A A:HEM701 4.3 26.9 1.0 C3B A:HEM701 4.3 26.5 1.0 C3C A:HEM701 4.3 25.7 1.0 C2B A:HEM701 4.3 25.5 1.0 C2A A:HEM701 4.3 27.7 1.0 C2C A:HEM701 4.3 23.9 1.0 C3D A:HEM701 4.3 29.1 1.0 C2D A:HEM701 4.4 27.8 1.0 CD2 A:LEU472 4.8 21.2 1.0 NE2 A:GLN153 4.8 22.3 1.0

G.Zhu, M.Koszelak-Rosenblum, M.G.Malkowski. Crystal Structures of Alpha-Dioxygenase From Oryza Sativa: Insights Into Substrate Binding and Activation By Hydrogen Peroxide. Protein Sci. V. 22 1432 2013.
ISSN: ISSN 0961-8368
PubMed: 23934749
DOI: 10.1002/PRO.2327