Iron in PDB 4o6j: Crystal Sturucture of T. Acidophilum Ider

The structure of Crystal Sturucture of T. Acidophilum Ider, PDB code: 4o6j was solved by J.Y.Lee, H.K.Yeo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.215, 84.604, 46.956, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 21

The binding sites of Iron atom in the Crystal Sturucture of T. Acidophilum Ider (pdb code 4o6j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Sturucture of T. Acidophilum Ider, PDB code: 4o6j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Sturucture of T. Acidophilum Ider


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Sturucture of T. Acidophilum Ider within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:63.8 occ:1.00 O A:HOH422 2.3 45.3 1.0 OE2 A:GLU166 2.3 45.1 1.0 ND1 A:HIS130 2.4 42.2 1.0 SG A:CYS128 2.4 31.7 1.0 OE1 A:GLU86 2.4 36.0 1.0 OE1 A:GLU166 2.8 43.3 1.0 CD A:GLU166 2.9 39.5 1.0 CG A:HIS130 3.2 33.3 1.0 CD A:GLU86 3.3 26.6 1.0 FE A:FE2302 3.3 68.5 1.0 CB A:CYS128 3.3 27.0 1.0 CB A:HIS130 3.4 32.9 1.0 CE1 A:HIS130 3.4 47.6 1.0 OE2 A:GLU86 3.4 35.4 1.0 ND2 A:ASN132 3.9 32.9 1.0 N A:HIS130 3.9 32.2 1.0 O A:HOH435 4.0 30.0 1.0 CA A:HIS130 4.2 30.9 1.0 O A:HOH434 4.2 30.0 1.0 CD2 A:HIS130 4.4 40.8 1.0 CG A:GLU166 4.4 38.7 1.0 CD A:PRO129 4.4 36.4 1.0 NE2 A:HIS130 4.5 43.1 1.0 N A:PRO129 4.6 34.7 1.0 CA A:CYS128 4.6 30.7 1.0 CG A:GLU86 4.6 30.2 1.0 C A:CYS128 4.7 28.4 1.0 CG A:ARG83 4.8 25.1 1.0 NE2 A:HIS82 4.8 32.7 1.0 C A:HIS130 4.9 31.8 1.0 CG A:ASN132 5.0 37.6 1.0

Iron binding site 2 out of 2 in the Crystal Sturucture of T. Acidophilum Ider


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Sturucture of T. Acidophilum Ider within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe302 b:68.5 occ:1.00 NE2 A:HIS82 2.2 32.7 1.0 O A:HOH422 2.2 45.3 1.0 O A:HOH434 2.2 30.0 1.0 OE1 A:GLU166 2.3 43.3 1.0 OD1 A:ASP101 2.3 34.1 1.0 OE2 A:GLU86 2.4 35.4 1.0 CD A:GLU166 3.1 39.5 1.0 CE1 A:HIS82 3.1 25.5 1.0 CD2 A:HIS82 3.2 25.4 1.0 CD A:GLU86 3.2 26.6 1.0 O A:HOH435 3.2 30.0 1.0 CG A:ASP101 3.3 43.0 1.0 FE A:FE2301 3.3 63.8 1.0 OE2 A:GLU166 3.6 45.1 1.0 OE1 A:GLU86 3.6 36.0 1.0 CB A:ASP101 3.7 35.6 1.0 CA A:ASP101 4.2 36.1 1.0 CG A:GLU166 4.2 38.7 1.0 CE A:LYS16 4.2 42.9 1.0 ND1 A:HIS82 4.3 28.0 1.0 CG A:HIS82 4.3 26.6 1.0 OD2 A:ASP101 4.3 53.7 1.0 CB A:GLU166 4.4 41.1 1.0 CG A:GLU86 4.4 30.2 1.0 NZ A:LYS16 4.5 53.8 1.0 ND1 A:HIS130 4.6 42.2 1.0 CE1 A:HIS130 4.9 47.6 1.0

H.K.Yeo, Y.W.Park, J.Y.Lee. Structural Analysis and Insight Into Metal-Ion Activation of the Iron-Dependent Regulator From Thermoplasma Acidophilum Acta Crystallogr.,Sect.D V. 70 1281 2014.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004714004118