Iron in PDB 6gkb: Iron Soak Structure of Y40F Synftn

All present enzymatic activity of Iron Soak Structure of Y40F Synftn:
1.16.3.2;

The structure of Iron Soak Structure of Y40F Synftn, PDB code: 6gkb was solved by A.M.Hemmings, J.M.Bradley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.47 / 1.90
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	176.679, 176.679, 176.679, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21

The binding sites of Iron atom in the Iron Soak Structure of Y40F Synftn (pdb code 6gkb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Iron Soak Structure of Y40F Synftn, PDB code: 6gkb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Iron Soak Structure of Y40F Synftn


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Iron Soak Structure of Y40F Synftn within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:41.8 occ:0.75 O A:HOH315 2.0 49.0 1.0 OE1 A:GLU33 2.1 44.6 1.0 OE1 A:GLU66 2.1 43.4 1.0 O A:HOH306 2.3 49.3 1.0 ND1 A:HIS69 2.4 36.8 1.0 CD A:GLU66 2.9 45.4 1.0 CD A:GLU33 3.0 46.9 1.0 OE2 A:GLU66 3.2 48.8 1.0 OE2 A:GLU33 3.3 36.4 1.0 CG A:HIS69 3.4 36.9 1.0 CE1 A:HIS69 3.4 40.0 1.0 CB A:HIS69 3.5 35.1 1.0 CG2 A:THR113 4.0 36.7 1.0 OE1 A:GLN143 4.1 38.0 1.0 O A:HOH407 4.3 51.0 1.0 CG A:GLU66 4.3 36.8 1.0 CG A:GLU33 4.4 45.8 1.0 O A:HOH307 4.4 63.9 1.0 CA A:GLU66 4.5 30.1 1.0 O A:HOH392 4.5 40.1 1.0 CD2 A:HIS69 4.5 38.8 1.0 NE2 A:HIS69 4.5 36.0 1.0 O A:HOH302 4.6 55.9 1.0 CB A:GLU66 4.6 33.3 1.0 CB A:GLU33 4.7 35.9 1.0 O A:GLU66 4.8 31.0 1.0 CD A:GLN143 4.9 39.5 1.0

Iron binding site 2 out of 2 in the Iron Soak Structure of Y40F Synftn


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Iron Soak Structure of Y40F Synftn within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:62.6 occ:0.20 O A:HOH420 2.2 63.8 1.0 O A:HOH452 2.8 65.5 1.0 OD2 A:ASP137 3.9 39.1 1.0 CB A:ASP137 4.1 38.4 1.0 O A:HOH375 4.2 76.8 1.0 CG A:ASP137 4.4 34.1 1.0

J.M.Bradley, D.A.Svistunenko, J.Pullin, N.Hill, R.K.Stuart, B.Palenik, M.T.Wilson, A.M.Hemmings, G.R.Moore, N.E.Le Brun. Reaction of O2WITH A Diiron Protein Generates A Mixed-Valent FE2+/FE3+Center and Peroxide. Proc. Natl. Acad. Sci. V. 116 2058 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30659147
DOI: 10.1073/PNAS.1809913116