Iron in PDB 6xjj: Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis

The structure of Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis, PDB code: 6xjj was solved by L.Mallik, T.J.Doyon, A.R.H.Narayan, M.Koutmos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.07 / 2.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.014, 111.014, 89.889, 90, 90, 120
R / Rfree (%)	21 / 25.1

The structure of Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis also contains other interesting chemical elements:

Yttrium

(Y)

1 atom

The binding sites of Iron atom in the Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis (pdb code 6xjj). 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 Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis, PDB code: 6xjj:

Iron binding site 1 out of 1 in the Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Non-Heme Iron Enzyme Tropc: Radical Tropolone Biosynthesis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1000 b:83.5 occ:1.00 NE2 A:HIS210 2.2 90.0 1.0 OD1 A:ASP212 2.4 73.0 1.0 NE2 A:HIS269 2.5 64.6 1.0 O A:HOH1105 2.8 68.2 1.0 CE1 A:HIS210 3.0 74.8 1.0 HE1 A:HIS210 3.1 74.8 1.0 CG A:ASP212 3.3 84.5 1.0 CD2 A:HIS210 3.4 75.3 1.0 OD2 A:ASP212 3.4 75.6 1.0 CD2 A:HIS269 3.4 68.0 1.0 CE1 A:HIS269 3.5 66.6 1.0 HD2 A:HIS269 3.5 68.0 1.0 HD2 A:HIS210 3.7 75.3 1.0 HE1 A:HIS269 3.7 66.6 1.0 HE2 A:PHE284 3.7 63.4 1.0 ND1 A:HIS210 4.2 79.9 1.0 CG A:HIS210 4.4 72.1 1.0 CG A:HIS269 4.6 70.4 1.0 ND1 A:HIS269 4.6 68.3 1.0 CE2 A:PHE284 4.6 63.4 1.0 HD21 A:ASN251 4.6 61.8 1.0 HZ A:PHE284 4.7 60.8 1.0 CB A:ASP212 4.7 69.9 1.0 HA A:ASP212 4.9 64.6 1.0 HG11 A:VAL207 4.9 72.2 1.0 HD1 A:HIS210 5.0 79.9 1.0

T.J.Doyon, K.Skinner, D.Yang, L.Mallik, T.Wymore, M.Koutmos, P.M.Zimmerman, A.Narayan. Radical Tropolone Biosynthesis Chemrxiv 2020.
DOI: 10.26434/CHEMRXIV.12780044.V1