Iron in PDB 4d02: The Crystallographic Structure of Flavorubredoxin From Escherichia Coli

The structure of The Crystallographic Structure of Flavorubredoxin From Escherichia Coli, PDB code: 4d02 was solved by C.V.Romao, J.B.Vicente, T.Bandeiras, M.A.Carrondo, M.Teixeira, C.Frazao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	129.496 / 1.76
Space group	P 6 2 2
Cell size a, b, c (Å), α, β, γ (°)	149.529, 149.529, 94.498, 90.00, 90.00, 120.00
R / Rfree (%)	14.07 / n/a

The structure of The Crystallographic Structure of Flavorubredoxin From Escherichia Coli also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the The Crystallographic Structure of Flavorubredoxin From Escherichia Coli (pdb code 4d02). 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 Crystallographic Structure of Flavorubredoxin From Escherichia Coli, PDB code: 4d02:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the The Crystallographic Structure of Flavorubredoxin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystallographic Structure of Flavorubredoxin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:28.0 occ:1.00 O3 A:PO4605 1.9 50.7 1.0 O A:O604 2.1 25.1 1.0 OD1 A:ASP166 2.1 23.1 1.0 NE2 A:HIS84 2.1 25.3 1.0 NE2 A:HIS227 2.2 24.6 1.0 OD2 A:ASP83 2.3 24.7 1.0 CD2 A:HIS84 3.0 24.5 1.0 CD2 A:HIS227 3.0 20.7 1.0 CG A:ASP166 3.0 26.5 1.0 P A:PO4605 3.1 49.4 1.0 CE1 A:HIS84 3.2 26.4 1.0 CG A:ASP83 3.2 26.3 1.0 CE1 A:HIS227 3.2 26.8 1.0 OD2 A:ASP166 3.3 27.4 1.0 FE A:FE603 3.5 28.1 1.0 O1 A:PO4605 3.5 55.3 1.0 OD1 A:ASP83 3.5 24.6 1.0 O2 A:PO4605 3.6 46.1 1.0 CG A:HIS84 4.1 24.9 1.0 ND1 A:HIS84 4.2 23.6 1.0 CG A:HIS227 4.2 23.0 1.0 ND1 A:HIS227 4.3 25.9 1.0 O4 A:PO4605 4.3 51.1 1.0 OG A:SER226 4.3 24.2 1.0 CB A:ASP166 4.4 20.5 1.0 CB A:ASP83 4.6 22.3 1.0 O A:HOH2239 4.6 46.8 1.0 OE1 A:GLU81 4.7 25.0 1.0 CD2 A:HIS79 4.7 22.5 1.0 OH A:TYR194 4.8 69.7 1.0 NE2 A:HIS79 4.9 25.4 1.0 CA A:ASP166 4.9 21.8 1.0 OD1 A:ASN165 5.0 31.8 1.0

Iron binding site 2 out of 2 in the The Crystallographic Structure of Flavorubredoxin From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Crystallographic Structure of Flavorubredoxin From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe603 b:28.1 occ:1.00 O A:O604 2.0 25.1 1.0 NE2 A:HIS147 2.1 24.4 1.0 OD2 A:ASP166 2.1 27.4 1.0 OE1 A:GLU81 2.1 25.0 1.0 NE2 A:HIS79 2.2 25.4 1.0 O2 A:PO4605 2.3 46.1 1.0 CE1 A:HIS147 2.9 25.0 1.0 CD2 A:HIS79 3.0 22.5 1.0 CG A:ASP166 3.2 26.5 1.0 CD2 A:HIS147 3.2 21.7 1.0 CD A:GLU81 3.3 30.7 1.0 CE1 A:HIS79 3.3 26.2 1.0 P A:PO4605 3.4 49.4 1.0 FE A:FE602 3.5 28.0 1.0 O3 A:PO4605 3.6 50.7 1.0 OD1 A:ASP166 3.6 23.1 1.0 CB A:GLU81 3.9 23.2 1.0 O1 A:PO4605 4.0 55.3 1.0 ND1 A:HIS147 4.1 27.0 1.0 CG A:GLU81 4.1 26.8 1.0 OE2 A:GLU81 4.2 36.0 1.0 CG A:HIS79 4.2 26.1 1.0 CG A:HIS147 4.2 24.6 1.0 ND1 A:HIS79 4.4 24.6 1.0 OD1 A:ASP83 4.4 24.6 1.0 CB A:ASP166 4.4 20.5 1.0 O A:HOH2121 4.5 26.6 1.0 O A:HOH2239 4.5 46.8 1.0 CD2 A:HIS84 4.5 24.5 1.0 O4 A:PO4605 4.6 51.1 1.0 OD2 A:ASP83 4.7 24.7 1.0 NE2 A:HIS84 4.7 25.3 1.0 CG A:ASP83 5.0 26.3 1.0 OD1 A:ASN165 5.0 31.8 1.0

V.L.Goncalves, J.B.Vicente, L.Pinto, C.V.Romao, C.Frazao, P.Sarti, A.Giuffre, M.Teixeira. Flavodiiron Oxygen Reductase From Entamoeba Histolytica: Modulation of Substrate Preference By Tyrosine 271 and Lysine 53. J.Biol.Chem. V. 289 28260 2014.
ISSN: ISSN 0021-9258
PubMed: 25151360
DOI: 10.1074/JBC.M114.579086