Iron in PDB 6ui0: Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases

The structure of Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases, PDB code: 6ui0 was solved by K.R.Miller, J.D.Paretsky, A.H.Follmer, T.Heinisch, K.Mittra, S.Gul, I.-S.Kim, F.D.Fuller, A.Batyuk, K.D.Sutherlin, A.S.Brewster, A.Bhowmick, N.K.Sauter, J.Kern, J.Yano, M.T.Green, T.R.Ward, A.S.Borovik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.45 / 1.40
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.889, 57.889, 184.653, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18

The binding sites of Iron atom in the Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases (pdb code 6ui0). 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 Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases, PDB code: 6ui0:

Iron binding site 1 out of 1 in the Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:25.6 occ:0.80 FE1 A:QFY201 0.0 25.6 0.8 OE2 A:GLU112 2.1 22.0 0.8 OXT A:ACT203 2.2 33.9 1.0 N3 A:QFY201 2.2 25.0 1.0 OXT A:ACT202 2.2 36.3 1.0 N5 A:QFY201 2.2 35.9 1.0 N4 A:QFY201 2.2 26.1 1.0 C17 A:QFY201 3.0 30.0 1.0 C18 A:QFY201 3.0 31.9 1.0 C11 A:QFY201 3.0 30.7 1.0 C A:ACT202 3.1 20.3 1.0 CD A:GLU112 3.1 25.3 0.8 C16 A:QFY201 3.1 32.5 1.0 C12 A:QFY201 3.1 25.4 1.0 C22 A:QFY201 3.1 43.1 1.0 OE1 A:GLU112 3.2 18.9 0.2 C A:ACT203 3.3 25.5 1.0 C23 A:QFY201 3.3 24.0 1.0 OE1 A:GLU112 3.4 31.4 0.8 O A:ACT202 3.4 27.0 1.0 C24 A:QFY201 3.6 19.0 1.0 O A:ACT203 4.0 33.7 1.0 CD A:GLU112 4.1 18.5 0.2 CH3 A:ACT203 4.3 38.4 1.0 CH3 A:ACT202 4.3 35.6 1.0 C19 A:QFY201 4.4 32.0 1.0 C15 A:QFY201 4.5 32.3 1.0 C21 A:QFY201 4.5 42.7 1.0 CG A:GLU112 4.5 22.4 0.8 C13 A:QFY201 4.5 25.2 1.0 OE2 A:GLU112 4.7 22.1 0.2 CB A:GLU112 4.8 15.8 0.2 CB A:GLU112 4.9 19.4 0.8 C20 A:QFY201 4.9 43.6 1.0 CG A:GLU112 5.0 16.0 0.2

K.R.Miller, J.D.Paretsky, A.H.Follmer, T.Heinisch, K.Mittra, S.Gul, I.S.Kim, F.D.Fuller, A.Batyuk, K.D.Sutherlin, A.S.Brewster, A.Bhowmick, N.K.Sauter, J.Kern, J.Yano, M.T.Green, T.R.Ward, A.S.Borovik. Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases. Inorg.Chem. 2020.
ISSN: ISSN 0020-1669
PubMed: 32309932
DOI: 10.1021/ACS.INORGCHEM.9B03791