Iron in PDB 4f9j: Structure of Escherichia Coli Pgab 42-655 in Complex with Iron

The structure of Structure of Escherichia Coli Pgab 42-655 in Complex with Iron, PDB code: 4f9j was solved by D.J.Little, J.Poloczek, J.C.Whitney, H.Robinson, M.Nitz, P.L.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.53 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.055, 102.428, 150.901, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.8

The structure of Structure of Escherichia Coli Pgab 42-655 in Complex with Iron also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Structure of Escherichia Coli Pgab 42-655 in Complex with Iron (pdb code 4f9j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Escherichia Coli Pgab 42-655 in Complex with Iron, PDB code: 4f9j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Escherichia Coli Pgab 42-655 in Complex with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Escherichia Coli Pgab 42-655 in Complex with Iron within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe701 b:20.9 occ:1.00 OD1 A:ASP115 2.2 24.0 1.0 NE2 A:HIS189 2.3 19.8 1.0 OXT A:ACY702 2.3 24.0 1.0 NE2 A:HIS184 2.3 14.9 1.0 O A:ACY702 2.5 21.4 1.0 O A:HOH919 2.7 22.6 1.0 C A:ACY702 2.7 27.6 1.0 CD2 A:HIS184 3.1 15.1 1.0 CD2 A:HIS189 3.1 20.0 1.0 CG A:ASP115 3.2 25.9 1.0 CE1 A:HIS189 3.3 26.0 1.0 OD2 A:ASP115 3.4 26.4 1.0 CE1 A:HIS184 3.4 16.5 1.0 CH3 A:ACY702 4.2 17.2 1.0 NE2 A:HIS55 4.3 20.1 1.0 CG A:HIS189 4.3 17.4 1.0 CG A:HIS184 4.4 14.6 1.0 ND1 A:HIS189 4.4 22.9 1.0 CB A:ASP114 4.4 20.3 1.0 ND1 A:HIS184 4.5 18.1 1.0 CB A:ASP115 4.5 20.4 1.0 CD2 A:HIS55 4.6 20.0 1.0 CA A:PRO251 4.6 21.2 1.0 N A:TYR252 4.8 15.4 1.0 N A:ASP115 4.8 18.0 1.0 CA A:ASP115 4.8 22.3 1.0

Iron binding site 2 out of 2 in the Structure of Escherichia Coli Pgab 42-655 in Complex with Iron


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Escherichia Coli Pgab 42-655 in Complex with Iron within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe701 b:21.6 occ:1.00 NE2 B:HIS189 2.2 21.9 1.0 OD1 B:ASP115 2.3 17.7 1.0 OXT B:ACY702 2.3 22.8 1.0 NE2 B:HIS184 2.4 18.9 1.0 O B:ACY702 2.4 22.5 1.0 C B:ACY702 2.7 25.5 1.0 CD2 B:HIS184 3.1 14.5 1.0 CD2 B:HIS189 3.1 15.6 1.0 CG B:ASP115 3.2 20.8 1.0 CE1 B:HIS189 3.3 17.9 1.0 CE1 B:HIS184 3.5 19.6 1.0 OD2 B:ASP115 3.5 20.9 1.0 CH3 B:ACY702 4.2 20.3 1.0 CG B:HIS189 4.3 17.2 1.0 CG B:HIS184 4.3 14.9 1.0 ND1 B:HIS189 4.4 17.0 1.0 NE2 B:HIS55 4.4 25.7 1.0 CB B:ASP114 4.4 20.2 1.0 ND1 B:HIS184 4.5 16.4 1.0 CB B:ASP115 4.6 18.3 1.0 CA B:PRO251 4.6 19.1 1.0 CD2 B:HIS55 4.7 23.5 1.0 N B:TYR252 4.7 18.5 1.0 N B:ASP115 4.7 21.6 1.0 CA B:ASP115 4.8 19.2 1.0

D.J.Little, J.Poloczek, J.C.Whitney, H.Robinson, M.Nitz, P.L.Howell. The Structure and Metal Dependent Activity of Escherichia Coli Pgab Provides Insight Into the Partial De-N-Acetylation of Poly-B-1,6-N-Acetyl-D-Glucosamine J.Biol.Chem. V. 287 31126 2012.
ISSN: ISSN 0021-9258
PubMed: 22810235
DOI: 10.1074/JBC.M112.390005